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

C21H22N2OS — CID 135499681

IUPAC2-cyclopentylsulfanyl-5-methyl-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(Cc2ccc3ccccc3c2)nc(SC2CCCC2)[nH]c1=O
InChIInChI=1S/C21H22N2OS/c1-14-19(13-15-10-11-16-6-2-3-7-17(16)12-15)22-21(23-20(14)24)25-18-8-4-5-9-18/h2-3,6-7,10-12,18H,4-5,8-9,13H2,1H3,(H,22,23,24)
InChIKeyYJHYHAXJKJMTFH-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.86
Rot. Bonds4

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

2-cyclopentylsulfanyl-5-methyl-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 135499681) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-5-methyl-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-5-methyl-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID135499681
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name2-cyclopentylsulfanyl-5-methyl-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(Cc2ccc3ccccc3c2)nc(SC2CCCC2)[nH]c1=O
InChIInChI=1S/C21H22N2OS/c1-14-19(13-15-10-11-16-6-2-3-7-17(16)12-15)22-21(23-20(14)24)25-18-8-4-5-9-18/h2-3,6-7,10-12,18H,4-5,8-9,13H2,1H3,(H,22,23,24)
InChIKeyYJHYHAXJKJMTFH-UHFFFAOYSA-N
XLogP4.86
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentylsulfanyl-5-methyl-4-(naphthalen-2-ylmethyl)-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

4-(1-naphthylmethyl)-2-sec-butylsulfanyl-1H-pyrimidin-6-one
CID 135402797
2-(Cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 135402743
6-Benzyl-2-(benzylthio)-5-methylpyrimidin-4(3H)-one
CID 135924204
6-Benzyl-5-methyl-2-(3-methylbenzylthio)pyrimidin-4(3H)-one
CID 135924223
6-Benzyl-5-methyl-2-(3-phenylpropylthio)pyrimidin-4(3H)-one
CID 135924224
6-Benzyl-5-methyl-2-(benzylthio)pyrimidin-4(3H)-one
CID 136086741
6-Benzyl-5-methyl-2-(2-methylbenzylthio)pyrimidin-4(3H)-one
CID 136086743
6-Benzyl-5-methyl-2-(4-tert-butylbenzylthio)pyrimidin-4(3H)-one
CID 136086746
4-benzyl-5-methyl-2-(naphthalen-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 136086747
6-Benzyl-5-methyl-2-(1-phenylethylthio)pyrimidin-4(3H)-one
CID 136086748
2-(Cyclohexylsulfanyl)-6-[1-(naphthalen-1-yl)ethyl]-3,4-dihydropyrimidin-4-one
CID 135402737
2-cyclopentylsulfanyl-4-(1-phenylpropyl)-1H-pyrimidin-6-one
CID 135402745

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-5-methyl-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopentylsulfanyl-5-methyl-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one (CID 135499681) is 2-cyclopentylsulfanyl-5-methyl-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopentylsulfanyl-5-methyl-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopentylsulfanyl-5-methyl-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one is Cc1c(Cc2ccc3ccccc3c2)nc(SC2CCCC2)[nH]c1=O.
What is the InChIKey of 2-cyclopentylsulfanyl-5-methyl-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is YJHYHAXJKJMTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-14-19(13-15-10-11-16-6-2-3-7-17(16)12-15)22-21(23-20(14)24)25-18-8-4-5-9-18/h2-3,6-7,10-12,18H,4-5,8-9,13H2,1H3,(H,22,23,24).
What are the key properties of 2-cyclopentylsulfanyl-5-methyl-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one?
2-cyclopentylsulfanyl-5-methyl-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 350.49 g/mol, XLogP of 4.86, 4 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-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135499681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).