4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one

C19H16N2O2S — CID 135585315

IUPAC4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(S[C@H](C(=O)c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H16N2O2S/c1-13-12-16(22)21-19(20-13)24-18(15-10-6-3-7-11-15)17(23)14-8-4-2-5-9-14/h2-12,18H,1H3,(H,20,21,22)/t18-/m0/s1
InChIKeyUHISHGDTIQFCMF-SFHVURJKSA-N
MW336.42 g/mol
LogP3.79
Rot. Bonds5

About 4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one

4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 135585315) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID135585315
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(S[C@H](C(=O)c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H16N2O2S/c1-13-12-16(22)21-19(20-13)24-18(15-10-6-3-7-11-15)17(23)14-8-4-2-5-9-14/h2-12,18H,1H3,(H,20,21,22)/t18-/m0/s1
InChIKeyUHISHGDTIQFCMF-SFHVURJKSA-N
XLogP3.79
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 135905937
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1,2-diphenylethanone
CID 5177649
2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135585314
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,2-diphenylethanone
CID 40647144
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate
CID 135554801
(2S)-N-(3-acetylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-2-phenylacetamide
CID 135794417
(2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone
CID 40951262
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
CID 735994
(2R)-N-(2-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135552392
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide
CID 135950983
2-phenoxyethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 135439276
N-(1,3-benzothiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136685853

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one (CID 135585315) is 4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(S[C@H](C(=O)c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is UHISHGDTIQFCMF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-13-12-16(22)21-19(20-13)24-18(15-10-6-3-7-11-15)17(23)14-8-4-2-5-9-14/h2-12,18H,1H3,(H,20,21,22)/t18-/m0/s1.
What are the key properties of 4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one?
4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 336.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135585315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).