5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one

C10H13ClN2OS — CID 114791239

IUPAC5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(SCC2CCCC2)c1Cl
InChIInChI=1S/C10H13ClN2OS/c11-8-9(14)12-6-13-10(8)15-5-7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyPRUQVHMFZBMGJJ-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.71
Rot. Bonds3

About 5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one

5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 114791239) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID114791239
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(SCC2CCCC2)c1Cl
InChIInChI=1S/C10H13ClN2OS/c11-8-9(14)12-6-13-10(8)15-5-7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyPRUQVHMFZBMGJJ-UHFFFAOYSA-N
XLogP2.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-pentylsulfanyl-1H-pyrimidin-6-one
CID 107754008
5-chloro-4-(3-methylbutan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 107754027
5-chloro-4-(2-methylbutylsulfanyl)-1H-pyrimidin-6-one
CID 107754047
5-chloro-4-(3-methylbutylsulfanyl)-1H-pyrimidin-6-one
CID 107754064
4-butan-2-ylsulfanyl-5-chloro-1H-pyrimidin-6-one
CID 114791053
5-chloro-4-(2-methylpropylsulfanyl)-1H-pyrimidin-6-one
CID 114791056
4-butylsulfanyl-5-chloro-1H-pyrimidin-6-one
CID 114791096
5-chloro-4-cyclohexylsulfanyl-1H-pyrimidin-6-one
CID 114791114
5-chloro-4-(3-methylcyclohexyl)sulfanyl-1H-pyrimidin-6-one
CID 114791186
5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one
CID 114791236
5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one
CID 114791238
4-(cyclopentylmethylsulfanyl)-5-iodo-1H-pyrimidin-6-one
CID 114791240

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one (CID 114791239) is 5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one is O=c1[nH]cnc(SCC2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is PRUQVHMFZBMGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c11-8-9(14)12-6-13-10(8)15-5-7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13,14).
What are the key properties of 5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one?
5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 244.75 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114791239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).