Pyrimidones

Description:

Compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Diazines ⮕ Pyrimidines and pyrimidine derivatives ⮕ Pyrimidones

1H-pyrimido[4,5-d]pyrimidine-2,4-dione
- ≥97%
Cas Number: 89891-00-9 Compound CID: 932957

Formula: C₆H₄N₄O₂ Molecular Weight: 164.12

IUPAC Name: 1H-pyrimido[4,5-d]pyrimidine-2,4-dione

SMILES: C1=C2C(=NC=N1)NC(=O)NC2=O

InChIKey: DWFPZDNYWVYUMK-UHFFFAOYSA-N

InChI: InChI=1S/C6H4N4O2/c11-5-3-1-7-2-8-4(3)9-6(12)10-5/h1-2H,(H2,7,8,9,10,11,12)

Synonyms: pyrimido[4,5-d]pyrimidine-2,4-dione | EN300-204674 | MFCD20620991 | 1H-pyrimido[4,5-d]pyrimidine-2,4-dione | SCHEMBL3...
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imexon
Cas Number: 59643-91-3 Compound CID: 68791

IUPAC Name: 4-amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one

SMILES: NC1=NC(=O)N2C1C2

InChIKey: BIXBBIPTYBJTRY-UHFFFAOYSA-N

InChI: InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)

Synonyms: 4-CHLORO-(ALPHA-PHENYL)-CINNAMICACID | Tox21_112779 | NCI60_002705 | 4-Imino-1,3-diazabicyclo-[3.1.0]-hexan-2-one | 4...
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brincidofovir
Cas Number: 444805-28-1 Compound CID: 483477

Formula: C₂₇H₅₂N₃O₇P Molecular Weight: 561.7

IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid

SMILES: CCCCCCCCCCCCCCCCOCCCOP(=O)(COC(CN1C=CC(=NC1=O)N)CO)O

InChIKey: WXJFKKQWPMNTIM-VWLOTQADSA-N

InChI: InChI=1S/C27H52N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-20-16-21-37-38(33,34)24-36-25(23-31)22-30-18-17-26(28)29-27(30)32/h17-18,25,31H,2-16,1show more

Synonyms: 3-(hexadecyloxy)propyl hydrogen ((((S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl)oxy)methyl)phosphonat...
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PSB-1584
IUPAC Name: 6-(hexylamino)-1H-pyrimidine-2,4-dione

SMILES: CCCCCCNc1cc(=O)[nH]c(=O)[nH]1

InChIKey: SDXQSUJXSHUIBQ-UHFFFAOYSA-N

InChI: InChI=1S/C10H17N3O2/c1-2-3-4-5-6-11-8-7-9(14)13-10(15)12-8/h7H,2-6H2,1H3,(H3,11,12,13,14,15)

Synonyms: 6-hexylaminouracil;compound 20;PSB1584
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PSB-16434
IUPAC Name: 6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione

SMILES: Clc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1

InChIKey: JSUODDTVALGQAK-UHFFFAOYSA-N

InChI: InChI=1S/C12H12ClN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)
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6-n-octylaminouracil
IUPAC Name: 6-(octylamino)-1H-pyrimidine-2,4-dione

SMILES: CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1

InChIKey: PFSWASUQURIOOR-UHFFFAOYSA-N

InChI: InChI=1S/C12H21N3O2/c1-2-3-4-5-6-7-8-13-10-9-11(16)15-12(17)14-10/h9H,2-8H2,1H3,(H3,13,14,15,16,17)

Synonyms: 6-n-octyl aminouracil
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Metharbital
- ≥98%
Cas Number: 50-11-3 Compound CID: 4099

Formula: C₉H₁₄N₂O₃ Molecular Weight: 198.22

IUPAC Name: 5,5-diethyl-6-hydroxy-3-methyl-2,3,4,5-tetrahydropyrimidine-2,4-dione

SMILES: CCC1(CC)C(=NC(=O)N(C1=O)C)O

InChIKey: FWJKNZONDWOGMI-UHFFFAOYSA-N

InChI: InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)

Synonyms: DB00463 | METHARBITAL [INN] | SCHEMBL22556220 | Endiemal | Metharbital (JAN/INN) | 02OS7K758T | 1-Methyl-5,5-diethyl ...
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diBA-(5)-C4
IUPAC Name: 1,3-dibutyl-5-[5-(1,3-dibutyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)penta-2,4-dien-1-ylidene]-1,3-diazinane-2,4,6-trione

SMILES: CCCCN1C(=O)C(=CC=CC=Cc2c(O)n(CCCC)c(=O)n(c2=O)CCCC)C(=O)N(C1=O)CCCC

InChIKey: CQAPPGVBCMJDML-UHFFFAOYSA-N

InChI: InChI=1S/C29H42N4O6/c1-5-9-18-30-24(34)22(25(35)31(28(30)38)19-10-6-2)16-14-13-15-17-23-26(36)32(20-11-7-3)29(39)33(27(23)37)21-12-8-4/h13-17,34H,5-12show more

Synonyms: bis-(1,3-dibutylbarbituric acid)pentamethine oxanol | oxalon dye
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MDG 548
IUPAC Name: 5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

SMILES: S=C1NC(=O)C(=Cc2ccc(c(c2)Cl)OCc2ccccc2)C(=O)N1

InChIKey: WJNBKDZARWFFKR-UHFFFAOYSA-N

InChI: InChI=1S/C18H13ClN2O3S/c19-14-9-12(8-13-16(22)20-18(25)21-17(13)23)6-7-15(14)24-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,20,21,22,23,25)

Synonyms: compound 1 | MDG-548 | MDG548
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(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
IUPAC Name: (5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

SMILES: C=CCN1C(=S)NC(=O)/C(=C\c2ccc(o2)c2cccc(c2Cl)Cl)/C1=O

InChIKey: NASLGRREAVKNNT-FMIVXFBMSA-N

InChI: InChI=1S/C18H12Cl2N2O3S/c1-2-8-22-17(24)12(16(23)21-18(22)26)9-10-6-7-14(25-10)11-4-3-5-13(19)15(11)20/h2-7,9H,1,8H2,(H,21,23,26)/b12-9+

Synonyms: compound 2
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2-Amino-5-methyl-4-pyrimidinol
- ≥96%
Cas Number: 15981-91-6

Formula: C₅H₇N₃O Molecular Weight: 125.12

IUPAC Name: 2-amino-5-methyl-1H-pyrimidin-6-one

SMILES: CC1=CN=C(NC1=O)N

InChIKey: YKUFMYSNUQLIQS-UHFFFAOYSA-N

InChI: InChI=1S/C5H7N3O/c1-3-2-7-5(6)8-4(3)9/h2H,1H3,(H3,6,7,8,9)

Synonyms: SY284487 | 2-Amino-5-methyl-4-pyrimidinol | 5-Methylisocytosine | Z3235158428 | 4(3H)-Pyrimidinone, 2-amino-5-methyl-...
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Thiazolo[4,5-d]pyrimidine-5,7-diol
- ≥95%
Cas Number: 7464-09-7 EC Number: ‘825-438-7 Compound CID: 345636

Formula: C₅H₃N₃O₂S Molecular Weight: 169.16

IUPAC Name: 4H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione

SMILES: C1=NC2=C(S1)C(=O)NC(=O)N2

InChIKey: ZKMLPWOPYCJLKO-UHFFFAOYSA-N

InChI: InChI=1S/C5H3N3O2S/c9-4-2-3(6-1-11-2)7-5(10)8-4/h1H,(H2,7,8,9,10)

Synonyms: [1,3]THIAZOLO[4,5-D]PYRIMIDINE-5,7-DIOL | DTXSID80323209 | MFCD18642483 | thiazolo[4,5-d]pyrimidine-5,7-dione | SY105...
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