4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one

C12H18N2OS — CID 137025477

IUPAC4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(CCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N2OS/c1-16-12-13-10(8-11(15)14-12)7-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,13,14,15)
InChIKeyZJHZYUBUGRMLJI-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.61
Rot. Bonds4

About 4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one

4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 137025477) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID137025477
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(CCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N2OS/c1-16-12-13-10(8-11(15)14-12)7-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,13,14,15)
InChIKeyZJHZYUBUGRMLJI-UHFFFAOYSA-N
XLogP2.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135947962
4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135934367
2-methylsulfanyl-4-tetradecyl-1H-pyrimidin-6-one
CID 137079394
4-(2-cyclohexylethyl)-1H-pyrimidin-6-one
CID 137025535
4-heptadec-8-enyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137178356
2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136913794
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cycloheptane-1-carbonitrile
CID 135932244
4-[(2,6-difluorophenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135402777
6-(2-cyclopentylethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 121205561
2-(oxolan-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135537400
N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135488271
CID 70357325
CID 70357325

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one (CID 137025477) is 4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one is CSc1nc(CCC2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is ZJHZYUBUGRMLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-16-12-13-10(8-11(15)14-12)7-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 238.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137025477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).