2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one

C18H22N2OS — CID 135499672

IUPAC2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one
SMILESCc1c(CCc2ccccc2)nc(SC2CCCC2)[nH]c1=O
InChIInChI=1S/C18H22N2OS/c1-13-16(12-11-14-7-3-2-4-8-14)19-18(20-17(13)21)22-15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,19,20,21)
InChIKeyKYVKUIUIZXCBLA-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.90
Rot. Bonds5

About 2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one

2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one (PubChem CID 135499672) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one
PubChem CID135499672
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one
SMILESCc1c(CCc2ccccc2)nc(SC2CCCC2)[nH]c1=O
InChIInChI=1S/C18H22N2OS/c1-13-16(12-11-14-7-3-2-4-8-14)19-18(20-17(13)21)22-15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,19,20,21)
InChIKeyKYVKUIUIZXCBLA-UHFFFAOYSA-N
XLogP3.90
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-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

2-cyclohexylsulfanyl-5-methyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one
CID 135439578
4-(2-cyclohexylethyl)-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-6-one
CID 166606495
4-(cyclohexylmethyl)-2-cyclohexylsulfanyl-5-ethyl-1H-pyrimidin-6-one
CID 135955980
4-benzyl-2-butan-2-ylsulfanyl-5-methyl-1H-pyrimidin-6-one
CID 135402793
5-bromo-2-cycloheptylsulfanyl-4-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 141462090
(3S)-3-[(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]azepan-2-one
CID 136675126
2-benzylsulfanyl-4,5-dimethyl-1H-pyrimidin-6-one
CID 135403428
2-cyclohexylsulfanyl-5-methyl-6-[(3-methylphenyl)methyl]-1H-pyrimidine-4-thione
CID 3001451
3-cyclopentylsulfanyl-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one
CID 60617702
(3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one
CID 41289604
cis-(1S,3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 124733214
3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 139716711

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one (CID 135499672) is 2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one is Cc1c(CCc2ccccc2)nc(SC2CCCC2)[nH]c1=O.
What is the InChIKey of 2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one?
The InChIKey is KYVKUIUIZXCBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13-16(12-11-14-7-3-2-4-8-14)19-18(20-17(13)21)22-15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,19,20,21).
What are the key properties of 2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one?
2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one has a molecular weight of 314.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-5-methyl-4-(2-phenylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135499672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).