4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one

C10H14N2OS — CID 135947962

IUPAC4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C10H14N2OS/c1-14-10-11-8(6-9(13)12-10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyYZSSGSFSTBCAFK-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.15
Rot. Bonds2

About 4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one

4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135947962) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID135947962
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C10H14N2OS/c1-14-10-11-8(6-9(13)12-10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyYZSSGSFSTBCAFK-UHFFFAOYSA-N
XLogP2.15
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxylate
CID 137137137
4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025477
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 136729426
4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one
CID 136730004
4-cyclopropyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one
CID 163346716
methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate
CID 136729563
4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136729575
4-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136889687
4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one
CID 136730017
4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 136983286
4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one
CID 136729982

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one (CID 135947962) is 4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one is CSc1nc(C2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is YZSSGSFSTBCAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-14-10-11-8(6-9(13)12-10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one?
4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 210.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135947962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).