Hydropyrimidine carboxylic acids and derivatives

Description:

Compounds containing a hydrogenated pyrimidine ring which bears a carboxylic acid group.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Diazines ⮕ Pyrimidines and pyrimidine derivatives ⮕ Hydropyrimidines ⮕ Hydropyrimidine carboxylic acids and derivatives

ethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-1，2，3，4-tetrahydropyrimidine-5-carboxylate
- ≥95%
Cas Number: 294653-58-0 Compound CID: 2849314

Formula: C₁₄H₁₆N₂O₄ Molecular Weight: 276.29

IUPAC Name: ethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

SMILES: CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)O)C

InChIKey: JCRNAELNYJDDSA-UHFFFAOYSA-N

InChI: InChI=1S/C14H16N2O4/c1-3-20-13(18)11-8(2)15-14(19)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,19)
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Ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1，2，3，4-tetrahydropyrimidine-5-carboxylate
- ≥97%
Cas Number: 5948-71-0 Compound CID: 602918

Formula: C₁₄H₁₅ClN₂O₃ Molecular Weight: 294.73

IUPAC Name: ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

SMILES: CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)C

InChIKey: JYWSCUFVWRZFDR-UHFFFAOYSA-N

InChI: InChI=1S/C14H15ClN2O3/c1-3-20-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(15)7-5-9/h4-7,12H,3H2,1-2H3,(H2,16,17,19)
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Ethyl 4-(2-chlorophenyl)-6-methyl-2-thioxo-1，2，3，4-tetrahydropyrimidine-5-carboxylate
- ≥97%
Cas Number: 301359-45-5 Compound CID: 3145501

Formula: C₁₄H₁₅ClN₂O₂S Molecular Weight: 310.8

IUPAC Name: ethyl 4-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

SMILES: CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2Cl)C

InChIKey: KQXFBPXQGHDFBT-UHFFFAOYSA-N

InChI: InChI=1S/C14H15ClN2O2S/c1-3-19-13(18)11-8(2)16-14(20)17-12(11)9-6-4-5-7-10(9)15/h4-7,12H,3H2,1-2H3,(H2,16,17,20)
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Methylethyl 6-(2-furyl)-4-methyl-2-oxo-1,3,6-trihydropyrimidine-5-carboxylate
Cas Number: 446252-18-2 Compound CID: 2748294

Formula: C₁₃H₁₆N₂O₄ Molecular Weight: 264.28

IUPAC Name: propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

SMILES: CC1=C(C(NC(=O)N1)C2=CC=CO2)C(=O)OC(C)C

InChIKey: AMVBLUKTOOTWMN-UHFFFAOYSA-N

InChI: InChI=1S/C13H16N2O4/c1-7(2)19-12(16)10-8(3)14-13(17)15-11(10)9-5-4-6-18-9/h4-7,11H,1-3H3,(H2,14,15,17)

Synonyms: 5-Pyrimidinecarboxylicacid,4-(2-furanyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-,1-methylethylester(9CI) | methylethyl 6-(...

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Ethyl 6-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Cas Number: 352692-70-7

Formula: C₁₂H₁₄N₂O₃S Molecular Weight: 266.32

IUPAC Name: ethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

SMILES: CCOC(=O)C1=C(NC(=O)NC1C2=CSC=C2)C

InChIKey: YDPAVIZFYHAEHR-UHFFFAOYSA-N

InChI: InChI=1S/C12H14N2O3S/c1-3-17-11(15)9-7(2)13-12(16)14-10(9)8-4-5-18-6-8/h4-6,10H,3H2,1-2H3,(H2,13,14,16)

Synonyms: ethyl 6-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate | ethyl 6-methyl-2-oxo-4-(3-thienyl...

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Morphothiadin
- ≥98%
Cas Number: 1092970-12-1 Compound CID: 25144422

Formula: C₂₁H₂₂BrFN₄O₃S Molecular Weight: 509.39

IUPAC Name: ethyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate

SMILES: CCOC(=O)C1=C(NC(=NC1C2=C(C=C(C=C2)F)Br)C3=NC=CS3)CN4CCOCC4

InChIKey: SQGRDKSRFFUBBU-UHFFFAOYSA-N

InChI: InChI=1S/C21H22BrFN4O3S/c1-2-30-21(28)17-16(12-27-6-8-29-9-7-27)25-19(20-24-5-10-31-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,10-11,18H,2,6-9,12H2,1H3show more

Synonyms: GLS4 | 4-(2-bromo-4-fluorophenyl)-1,4-dihydro-6-(4-morpholinylmethyl)-2-(2-thiazolyl)-5-pyrimidinecarboxylic acid, et...
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Bay 41-4109
- ≥98%
Cas Number: 298708-81-3

Formula: C₁₈H₁₃ClF₃N₃O₂ Molecular Weight: 395.76

IUPAC Name: methyl (4R)-4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate

SMILES: CC1=C(C(N=C(N1)C2=C(C=C(C=N2)F)F)C3=C(C=C(C=C3)F)Cl)C(=O)OC

InChIKey: FVNJBPMQWSIGJK-HNNXBMFYSA-N

InChI: InChI=1S/C18H13ClF3N3O2/c1-8-14(18(26)27-2)15(11-4-3-9(20)5-12(11)19)25-17(24-8)16-13(22)6-10(21)7-23-16/h3-7,15H,1-2H3,(H,24,25)/t15-/m0/s1

Synonyms: Methyl (4R)-4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoro-2-pyridinyl)-1,4-dihydro-6-methyl-5-pyrimidinecarboxylate | M...
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ethyl 2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- ≥97%
Cas Number: 33458-27-4 Compound CID: 10844865

Formula: C₇H₁₀N₂O₃ Molecular Weight: 170.17

IUPAC Name: ethyl 2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

SMILES: CCOC(=O)C1=CNC(=O)NC1

InChIKey: DYEUWQNJWMPQAL-UHFFFAOYSA-N

InChI: InChI=1S/C7H10N2O3/c1-2-12-6(10)5-3-8-7(11)9-4-5/h3H,2,4H2,1H3,(H2,8,9,11)

Synonyms: FS-2381 | MFCD10688281 | DTXSID60445635 | SCHEMBL1284263 | DYEUWQNJWMPQAL-UHFFFAOYSA-N | 2-Oxo-1,2,3,4-tetrahydro-pyr...
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[(E)-hept-2-enyl] 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name: [(E)-hept-2-enyl] 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

SMILES: CCCC/C=C/COC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)[N+](=O)[O-]

InChIKey: BEXZJJQVPWJPOA-VOTSOKGWSA-N

InChI: InChI=1S/C19H23N3O5/c1-3-4-5-6-7-12-27-18(23)16-13(2)20-19(24)21-17(16)14-8-10-15(11-9-14)22(25)26/h6-11,17H,3-5,12H2,1-2H3,(H2,20,21,24)/b7-6+

Synonyms: compound 1l
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WAY-343972
- ≥98%
Cas Number: 518982-84-8 Compound CID: 5130381

Formula: C₁₃H₁₆N₂O₂S₂ Molecular Weight: 296.41

IUPAC Name: propan-2-yl 6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

SMILES: CC1=C(C(NC(=S)N1)C2=CC=CS2)C(=O)OC(C)C

InChIKey: CORCKTORTRFHJU-UHFFFAOYSA-N

InChI: InChI=1S/C13H16N2O2S2/c1-7(2)17-12(16)10-8(3)14-13(18)15-11(10)9-5-4-6-19-9/h4-7,11H,1-3H3,(H2,14,15,18)
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ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- ≥97%
Cas Number: 33458-26-3

Formula: C₁₄H₁₆N₂O₂S Molecular Weight: 276.36

IUPAC Name: ethyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

SMILES: CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2)C

InChIKey: QMFBVGUFEGVPNG-UHFFFAOYSA-N

InChI: InChI=1S/C14H16N2O2S/c1-3-18-13(17)11-9(2)15-14(19)16-12(11)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H2,15,16,19)

Synonyms: AC-31097 | BCP10706 | DTXSID30965456 | FT-0626149 | MFCD00188414 | ethyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydr...
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WAY-343972
- 10mM in DMSO
Cas Number: 518982-84-8 Compound CID: 5130381

Formula: C₁₃H₁₆N₂O₂S₂ Molecular Weight: 296.41

IUPAC Name: propan-2-yl 6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

SMILES: CC1=C(C(NC(=S)N1)C2=CC=CS2)C(=O)OC(C)C

InChIKey: CORCKTORTRFHJU-UHFFFAOYSA-N

InChI: InChI=1S/C13H16N2O2S2/c1-7(2)17-12(16)10-8(3)14-13(18)15-11(10)9-5-4-6-19-9/h4-7,11H,1-3H3,(H2,14,15,18)
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