2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one

C15H16N2O3S — CID 135585314

IUPAC2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C(=O)[C@@H](C)Sc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C15H16N2O3S/c1-9-8-13(18)17-15(16-9)21-10(2)14(19)11-4-6-12(20-3)7-5-11/h4-8,10H,1-3H3,(H,16,17,18)/t10-/m1/s1
InChIKeyWFEILUZICRVPIR-SNVBAGLBSA-N
MW304.37 g/mol
LogP2.45
Rot. Bonds5

About 2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one

2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135585314) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135585314
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C(=O)[C@@H](C)Sc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C15H16N2O3S/c1-9-8-13(18)17-15(16-9)21-10(2)14(19)11-4-6-12(20-3)7-5-11/h4-8,10H,1-3H3,(H,16,17,18)/t10-/m1/s1
InChIKeyWFEILUZICRVPIR-SNVBAGLBSA-N
XLogP2.45
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

methyl 2-[2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135596879
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 102925420
2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135798646
(2R)-N-(2-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135552392
4-amino-2-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one
CID 135788231
2-[[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid
CID 136923211
(2R)-N-(4-acetylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135783764
N-(4-acetylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135410556
N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide
CID 84602064
2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43413679
S-(4-methyl-6-oxo-1H-pyrimidin-2-yl) 3,5-dimethoxybenzenecarbothioate
CID 135494915
4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one
CID 135585315

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one (CID 135585314) is 2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one is COc1ccc(C(=O)[C@@H](C)Sc2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WFEILUZICRVPIR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-8-13(18)17-15(16-9)21-10(2)14(19)11-4-6-12(20-3)7-5-11/h4-8,10H,1-3H3,(H,16,17,18)/t10-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 304.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135585314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).