5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one

C16H17N3O2S — CID 136675127

IUPAC5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(S[C@@H]2CCN(C)C2=O)[nH]c1=O
InChIInChI=1S/C16H17N3O2S/c1-10-13(11-6-4-3-5-7-11)17-16(18-14(10)20)22-12-8-9-19(2)15(12)21/h3-7,12H,8-9H2,1-2H3,(H,17,18,20)/t12-/m1/s1
InChIKeySQAIMKRTRAFLSS-GFCCVEGCSA-N
MW315.40 g/mol
LogP2.07
Rot. Bonds3

About 5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one

5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136675127) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one
PubChem CID136675127
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(S[C@@H]2CCN(C)C2=O)[nH]c1=O
InChIInChI=1S/C16H17N3O2S/c1-10-13(11-6-4-3-5-7-11)17-16(18-14(10)20)22-12-8-9-19(2)15(12)21/h3-7,12H,8-9H2,1-2H3,(H,17,18,20)/t12-/m1/s1
InChIKeySQAIMKRTRAFLSS-GFCCVEGCSA-N
XLogP2.07
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-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

(3S)-3-[(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]azepan-2-one
CID 136675126
(3S,5S)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-methyloxolan-2-one
CID 41083030
2-(azepan-1-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764405
5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one
CID 136826351
5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 136764448
5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
CID 137000220
5-methyl-2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753934
5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136764386
5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136764434
4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770175
(3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one
CID 129349378
2-cyclohexylsulfanyl-5-methyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one
CID 135439578

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one (CID 136675127) is 5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one is Cc1c(-c2ccccc2)nc(S[C@@H]2CCN(C)C2=O)[nH]c1=O.
What is the InChIKey of 5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is SQAIMKRTRAFLSS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-13(11-6-4-3-5-7-11)17-16(18-14(10)20)22-12-8-9-19(2)15(12)21/h3-7,12H,8-9H2,1-2H3,(H,17,18,20)/t12-/m1/s1.
What are the key properties of 5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one?
5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 315.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136675127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).