6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one

C11H17ClN2O — CID 114581676

IUPAC6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one
SMILESCCCC(C)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C11H17ClN2O/c1-4-5-8(2)7-14-9(3)13-10(12)6-11(14)15/h6,8H,4-5,7H2,1-3H3
InChIKeyPMDLJSMUPBTKPS-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.64
Rot. Bonds4

About 6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one

6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one (PubChem CID 114581676) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one
PubChem CID114581676
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one
SMILESCCCC(C)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C11H17ClN2O/c1-4-5-8(2)7-14-9(3)13-10(12)6-11(14)15/h6,8H,4-5,7H2,1-3H3
InChIKeyPMDLJSMUPBTKPS-UHFFFAOYSA-N
XLogP2.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-3-[(3,3-difluorocyclohexyl)methyl]-2-methylpyrimidin-4-one
CID 114224996
6-Chloro-3-[(3,3-difluorocyclopentyl)methyl]-2-ethylpyrimidin-4-one
CID 114224999
6-Chloro-3-[(3,3-difluorocyclopentyl)methyl]-2-propan-2-ylpyrimidin-4-one
CID 114225000
6-Chloro-3-(2-fluoroethyl)-2-propan-2-ylpyrimidin-4-one
CID 114585003
6-Chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one
CID 114585057
2,3-dibutyl-6-[(E)-1-chloroprop-1-enyl]sulfanylpyrimidin-4-one
CID 89329672
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
6-Hydroxy-2,3-bis(3-methylbutyl)pyrimidin-4-one
CID 136364329
3,6-Dimethyl-2-pentan-2-ylpyrimidin-4-one
CID 163585409
6-Chloro-3-(3-methoxy-3-methylbutyl)-2-methylpyrimidin-4-one
CID 103036360
6-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylhexanenitrile
CID 106713682
6-(4-Chloro-2-ethyl-6-oxopyrimidin-1-yl)-2,2-dimethylhexanenitrile
CID 106713686

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one (CID 114581676) is 6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one is CCCC(C)Cn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one?
The InChIKey is PMDLJSMUPBTKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-4-5-8(2)7-14-9(3)13-10(12)6-11(14)15/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one?
6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one has a molecular weight of 228.72 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one is sourced from PubChem (CID 114581676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).