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

C9H13ClN2O2 — CID 114581961

IUPAC6-chloro-3-(2-methoxypropyl)-2-methylpyrimidin-4-one
SMILESCOC(C)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C9H13ClN2O2/c1-6(14-3)5-12-7(2)11-8(10)4-9(12)13/h4,6H,5H2,1-3H3
InChIKeyOMLZKFFHSBVAFE-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.24
Rot. Bonds3

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

6-chloro-3-(2-methoxypropyl)-2-methylpyrimidin-4-one (PubChem CID 114581961) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 6-chloro-3-(2-methoxypropyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-methoxypropyl)-2-methylpyrimidin-4-one
PubChem CID114581961
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name6-chloro-3-(2-methoxypropyl)-2-methylpyrimidin-4-one
SMILESCOC(C)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C9H13ClN2O2/c1-6(14-3)5-12-7(2)11-8(10)4-9(12)13/h4,6H,5H2,1-3H3
InChIKeyOMLZKFFHSBVAFE-UHFFFAOYSA-N
XLogP1.24
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(2-methoxypropyl)-2-methylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-methoxypropyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-methoxypropyl)-2-methylpyrimidin-4-one (CID 114581961) is 6-chloro-3-(2-methoxypropyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-methoxypropyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-methoxypropyl)-2-methylpyrimidin-4-one is COC(C)Cn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(2-methoxypropyl)-2-methylpyrimidin-4-one?
The InChIKey is OMLZKFFHSBVAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-6(14-3)5-12-7(2)11-8(10)4-9(12)13/h4,6H,5H2,1-3H3.
What are the key properties of 6-chloro-3-(2-methoxypropyl)-2-methylpyrimidin-4-one?
6-chloro-3-(2-methoxypropyl)-2-methylpyrimidin-4-one has a molecular weight of 216.67 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-methoxypropyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).