4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one

C10H9ClN4O2 — CID 121448335

IUPAC4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one
SMILESCOc1ncc(-c2cc(Cl)nc(=O)n2C)cn1
InChIInChI=1S/C10H9ClN4O2/c1-15-7(3-8(11)14-10(15)16)6-4-12-9(17-2)13-5-6/h3-5H,1-2H3
InChIKeyGZNMLQUPJRDZMR-UHFFFAOYSA-N
MW252.66 g/mol
LogP0.90
Rot. Bonds2

About 4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one

4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one (PubChem CID 121448335) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one
PubChem CID121448335
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one
SMILESCOc1ncc(-c2cc(Cl)nc(=O)n2C)cn1
InChIInChI=1S/C10H9ClN4O2/c1-15-7(3-8(11)14-10(15)16)6-4-12-9(17-2)13-5-6/h3-5H,1-2H3
InChIKeyGZNMLQUPJRDZMR-UHFFFAOYSA-N
XLogP0.90
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-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 4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one?
The IUPAC name of 4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one (CID 121448335) is 4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one?
The canonical SMILES for 4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one is COc1ncc(-c2cc(Cl)nc(=O)n2C)cn1.
What is the InChIKey of 4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one?
The InChIKey is GZNMLQUPJRDZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-15-7(3-8(11)14-10(15)16)6-4-12-9(17-2)13-5-6/h3-5H,1-2H3.
What are the key properties of 4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one?
4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one has a molecular weight of 252.66 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one is sourced from PubChem (CID 121448335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).