2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide

C14H15N3O3S — CID 135432371

IUPAC2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1C
InChIInChI=1S/C14H15N3O3S/c1-9-5-3-4-6-10(9)15-12(19)8-21-14-16-11(18)7-13(20)17(14)2/h3-7,18H,8H2,1-2H3,(H,15,19)
InChIKeyFZGKQZOQADRBNX-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.53
Rot. Bonds4

About 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide

2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 135432371) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID135432371
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1C
InChIInChI=1S/C14H15N3O3S/c1-9-5-3-4-6-10(9)15-12(19)8-21-14-16-11(18)7-13(20)17(14)2/h3-7,18H,8H2,1-2H3,(H,15,19)
InChIKeyFZGKQZOQADRBNX-UHFFFAOYSA-N
XLogP1.53
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

S-2-(o-toluidino)-2-oxoethyl carbamothioate
CID 224667
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135516285
3-(2,6-diethylphenyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one
CID 135535458
6-hydroxy-3-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
CID 135541177
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]thio}-N-cyclohexylacetamide
CID 2171845
1-(3,4-dihydroquinolin-1(2H)-yl)-2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)ethanone
CID 135408403
2-{[5-benzyl-4-hydroxy-1-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 135465278
2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 1379557
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1521459
N-(4-ethylphenyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4462576
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 753421
N-(4-methylphenyl)-2-[(4-oxo-6-propyl-1,4-dihydro-2-pyrimidinyl)thio]acetamide
CID 135408881

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide (CID 135432371) is 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1C.
What is the InChIKey of 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is FZGKQZOQADRBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-5-3-4-6-10(9)15-12(19)8-21-14-16-11(18)7-13(20)17(14)2/h3-7,18H,8H2,1-2H3,(H,15,19).
What are the key properties of 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 305.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 135432371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).