2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide

C9H12ClN3O2 — CID 114581924

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)N(C)C
InChIInChI=1S/C9H12ClN3O2/c1-6-11-7(10)4-8(14)13(6)5-9(15)12(2)3/h4H,5H2,1-3H3
InChIKeyJHGVYYNSJZWEJO-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.29
Rot. Bonds2

About 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide (PubChem CID 114581924) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
PubChem CID114581924
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)N(C)C
InChIInChI=1S/C9H12ClN3O2/c1-6-11-7(10)4-8(14)13(6)5-9(15)12(2)3/h4H,5H2,1-3H3
InChIKeyJHGVYYNSJZWEJO-UHFFFAOYSA-N
XLogP0.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide 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 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide (CID 114581924) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide is Cc1nc(Cl)cc(=O)n1CC(=O)N(C)C.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The InChIKey is JHGVYYNSJZWEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-6-11-7(10)4-8(14)13(6)5-9(15)12(2)3/h4H,5H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide has a molecular weight of 229.67 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 114581924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).