6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one

C11H15ClN2O — CID 114581729

IUPAC6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC1CCCC1
InChIInChI=1S/C11H15ClN2O/c1-8-13-10(12)6-11(15)14(8)7-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3
InChIKeyLCHNSDZOVUUVHZ-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.40
Rot. Bonds2

About 6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one

6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one (PubChem CID 114581729) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one
PubChem CID114581729
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC1CCCC1
InChIInChI=1S/C11H15ClN2O/c1-8-13-10(12)6-11(15)14(8)7-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3
InChIKeyLCHNSDZOVUUVHZ-UHFFFAOYSA-N
XLogP2.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one (CID 114581729) is 6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CC1CCCC1.
What is the InChIKey of 6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one?
The InChIKey is LCHNSDZOVUUVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-13-10(12)6-11(15)14(8)7-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3.
What are the key properties of 6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one?
6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one has a molecular weight of 226.71 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(cyclopentylmethyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).