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

Phosphonic acid，P-[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-，hydrate (1:2)
- ≥99%
Cas Number: 149394-66-1 EC Number: 814-987-8 Compound CID: 60933

Formula: C₈H₁₈N₃O₈P Molecular Weight: 315.22

IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;dihydrate

SMILES: C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O.O.O

InChIKey: FPKARFMSZDBYQF-ILKKLZGPSA-N

InChI: InChI=1S/C8H14N3O6P.2H2O/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16;;/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16);2*1H2/t6-;;/m0../s1
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Emivirine（MKC-442）
- ≥98%
Cas Number: 149950-60-7 Compound CID: 65013

Formula: C₁₇H₂₂N₂O₃ Molecular Weight: 302.37

IUPAC Name: 6-benzyl-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

SMILES: CCOCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2

InChIKey: MLILORUFDVLTSP-UHFFFAOYSA-N

InChI: InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)

Synonyms: MKC442 | MKC 442 | DRG-0302 | DRG 0302 | DRG0302 | 1-(Ethoxymethyl)-6-(Phenylmethyl)-5-Propan-2-Ylpyrimidine-2,4-Dion...
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Benzobarbital
- ≥99%
Cas Number: 744-80-9 Compound CID: 12938

Formula: C₁₉H₁₆N₂O₄ Molecular Weight: 336.35

IUPAC Name: 1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

SMILES: CCC1(C(=O)NC(=O)N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChIKey: QMOWPJIFTHVQMB-UHFFFAOYSA-N

InChI: InChI=1S/C19H16N2O4/c1-2-19(14-11-7-4-8-12-14)16(23)20-18(25)21(17(19)24)15(22)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,20,23,25)
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Apricitabine
- ≥98%
Cas Number: 160707-69-7 Compound CID: 455041

Formula: C₈H₁₁N₃O₃S Molecular Weight: 229.25

IUPAC Name: 4-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one

SMILES: C1C(SC(O1)CO)N2C=CC(=NC2=O)N

InChIKey: RYMCFYKJDVMSIR-RNFRBKRXSA-N

InChI: InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m1/s1
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6-Cyclohexyl-4-oxo-2-thioxo-1，2，3，4-tetrahydropyrimidine-5-carbonitrile
- ≥97%
Cas Number: 290313-19-8 Compound CID: 2735844

Formula: C₁₁H₁₃N₃OS Molecular Weight: 235.31

IUPAC Name: 6-cyclohexyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

SMILES: C1CCC(CC1)C2=C(C(=O)NC(=S)N2)C#N

InChIKey: LIXJAXQQMCEYOV-UHFFFAOYSA-N

InChI: InChI=1S/C11H13N3OS/c12-6-8-9(7-4-2-1-3-5-7)13-11(16)14-10(8)15/h7H,1-5H2,(H2,13,14,15,16)
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6-Ethylpyrimidine-2，4(1H，3H)-dione
- ≥95%
Cas Number: 15043-03-5 Compound CID: 246001

Formula: C₆H₈N₂O₂ Molecular Weight: 140.14

IUPAC Name: 6-ethyl-1H-pyrimidine-2,4-dione

SMILES: CCC1=CC(=O)NC(=O)N1

InChIKey: JKUXMZDHLUUPGG-UHFFFAOYSA-N

InChI: InChI=1S/C6H8N2O2/c1-2-4-3-5(9)8-6(10)7-4/h3H,2H2,1H3,(H2,7,8,9,10)
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6-Amino-1-benzyl-3-methylpyrimidine-2，4(1H，3H)-dione
- ≥95%
Cas Number: 53681-51-9 Compound CID: 1649246

Formula: C₁₂H₁₃N₃O₂ Molecular Weight: 231.26

IUPAC Name: 6-amino-1-benzyl-3-methylpyrimidine-2,4-dione

SMILES: CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2)N

InChIKey: KXLNUNZSPLVKFM-UHFFFAOYSA-N

InChI: InChI=1S/C12H13N3O2/c1-14-11(16)7-10(13)15(12(14)17)8-9-5-3-2-4-6-9/h2-7H,8,13H2,1H3
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4，5-Diaminopyrimidin-2(1H)-one
- ≥95%
Cas Number: 23899-73-2 Compound CID: 248637

Formula: C₄H₆N₄O Molecular Weight: 126.12

IUPAC Name: 5,6-diamino-1H-pyrimidin-2-one

SMILES: C1=NC(=O)NC(=C1N)N

InChIKey: ZOAGFDYQEMSRDR-UHFFFAOYSA-N

InChI: InChI=1S/C4H6N4O/c5-2-1-7-4(9)8-3(2)6/h1H,5H2,(H3,6,7,8,9)
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2-amino-5-(benzyloxy)pyrimidin-4(3H)-one
- ≥95%
Cas Number: 93534-87-3 Compound CID: 261915

Formula: C₁₁H₁₁N₃O₂ Molecular Weight: 217.22

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

SMILES: C1=CC=C(C=C1)COC2=CN=C(NC2=O)N

InChIKey: FXXPDGSSPYTMKH-UHFFFAOYSA-N

InChI: InChI=1S/C11H11N3O2/c12-11-13-6-9(10(15)14-11)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,12,13,14,15)
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Bucolome
- ≥98%
Cas Number: 841-73-6 Compound CID: 2461

Formula: C₁₄H₂₂N₂O₃ Molecular Weight: 266.34

IUPAC Name: 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione

SMILES: CCCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2

InChIKey: DVEQCIBLXRSYPH-UHFFFAOYSA-N

InChI: InChI=1S/C14H22N2O3/c1-2-3-9-11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h10-11H,2-9H2,1H3,(H,15,17,19)

Synonyms: 5-Butyl-1-cyclohexylbarbituric acid | Bucolom | Paramidin | Paramidine | Bucolomum
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Benzylacyclouridine
- ≥99%
Cas Number: 82857-69-0 EC Number: 835-666-9 Compound CID: 54929

IUPAC Name: 5-benzyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

SMILES: C1=CC=C(C=C1)CC2=CN(C(=O)NC2=O)COCCO

InChIKey: SPJAGILXQBHHSZ-UHFFFAOYSA-N

InChI: InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
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6-Amino-5-(2，2-diethoxyethyl)-2-thioxo-2，3-dihydropyrimidin-4(1H)-one
- ≥98%
Cas Number: 7400-05-7 Compound CID: 3003781

Formula: C₁₀H₁₇N₃O₃S Molecular Weight: 259.329

IUPAC Name: 6-amino-5-(2,2-diethoxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one

SMILES: CCOC(CC1=C(NC(=S)NC1=O)N)OCC

InChIKey: GKSGXTLNGDMLRR-UHFFFAOYSA-N

InChI: InChI=1S/C10H17N3O3S/c1-3-15-7(16-4-2)5-6-8(11)12-10(17)13-9(6)14/h7H,3-5H2,1-2H3,(H4,11,12,13,14,17)
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