5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one

C9H11ClN2OS — CID 114791236

IUPAC5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(SC2CCCC2)c1Cl
InChIInChI=1S/C9H11ClN2OS/c10-7-8(13)11-5-12-9(7)14-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeyRATGFXILWUNHMW-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.46
Rot. Bonds2

About 5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one

5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one (PubChem CID 114791236) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one
PubChem CID114791236
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(SC2CCCC2)c1Cl
InChIInChI=1S/C9H11ClN2OS/c10-7-8(13)11-5-12-9(7)14-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeyRATGFXILWUNHMW-UHFFFAOYSA-N
XLogP2.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.46
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
5-chloro-4-(2-chloroethylsulfanyl)-1H-pyrimidin-6-one
CID 114599170
5-chloro-4-(3-chloro-2-methylpropyl)sulfanyl-1H-pyrimidin-6-one
CID 114599174
5-chloro-4-(4-chlorobutan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 114599178
5-chloro-4-(3-chloropropylsulfanyl)-1H-pyrimidin-6-one
CID 114599182
5-chloro-4-ethylsulfanyl-1H-pyrimidin-6-one
CID 114790936
4-tert-butylsulfanyl-5-chloro-1H-pyrimidin-6-one
CID 114790939
5-chloro-4-propylsulfanyl-1H-pyrimidin-6-one
CID 114790942
4-butan-2-ylsulfanyl-5-chloro-1H-pyrimidin-6-one
CID 114791053

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one (CID 114791236) is 5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one is O=c1[nH]cnc(SC2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is RATGFXILWUNHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c10-7-8(13)11-5-12-9(7)14-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13).
What are the key properties of 5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one?
5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 230.72 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclopentylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114791236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).