6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one

C10H13ClN2O — CID 114581692

IUPAC6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1C1CCCC1
InChIInChI=1S/C10H13ClN2O/c1-7-12-9(11)6-10(14)13(7)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyMGGXPMXMLAUDDE-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.32
Rot. Bonds1

About 6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one

6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one (PubChem CID 114581692) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one
PubChem CID114581692
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1C1CCCC1
InChIInChI=1S/C10H13ClN2O/c1-7-12-9(11)6-10(14)13(7)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyMGGXPMXMLAUDDE-UHFFFAOYSA-N
XLogP2.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-3-(3-fluoropropyl)-2-methylpyrimidin-4-one
CID 114581954
6-Chloro-3-ethyl-2-methylpyrimidin-4-one
CID 114581811
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
6-Chloro-2-methyl-3-pentan-2-ylpyrimidin-4-one
CID 107885721
6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723
6-Chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913292
6-Chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913297
6-Chloro-2-ethyl-3-octylpyrimidin-4-one
CID 113604480
6-Chloro-2-methyl-3-(2-methylbutyl)pyrimidin-4-one
CID 114581593
6-Chloro-2-methyl-3-pentylpyrimidin-4-one
CID 114581604
6-Chloro-2-methyl-3-octylpyrimidin-4-one
CID 114581605
6-Chloro-3-cyclohexyl-2-methylpyrimidin-4-one
CID 114581610

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one (CID 114581692) is 6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1C1CCCC1.
What is the InChIKey of 6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one?
The InChIKey is MGGXPMXMLAUDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7-12-9(11)6-10(14)13(7)8-4-2-3-5-8/h6,8H,2-5H2,1H3.
What are the key properties of 6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one?
6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one has a molecular weight of 212.68 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclopentyl-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).