3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide

C9H12ClN3O2 — CID 114581597

IUPAC3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
SMILESCc1nc(Cl)cc(=O)n1CC(C)C(N)=O
InChIInChI=1S/C9H12ClN3O2/c1-5(9(11)15)4-13-6(2)12-7(10)3-8(13)14/h3,5H,4H2,1-2H3,(H2,11,15)
InChIKeyAKXUYVLNLCDVNJ-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.33
Rot. Bonds3

About 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide

3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide (PubChem CID 114581597) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
PubChem CID114581597
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
SMILESCc1nc(Cl)cc(=O)n1CC(C)C(N)=O
InChIInChI=1S/C9H12ClN3O2/c1-5(9(11)15)4-13-6(2)12-7(10)3-8(13)14/h3,5H,4H2,1-2H3,(H2,11,15)
InChIKeyAKXUYVLNLCDVNJ-UHFFFAOYSA-N
XLogP0.33
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide 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-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581683
6-chloro-3-(2-ethylbutyl)-2-methylpyrimidin-4-one
CID 114582003
4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide
CID 114581834
6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
CID 114581824
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 114581924
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 114581979
3-butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815
6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one
CID 114581850
6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one
CID 114581801
4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114581852
6-chloro-2-methyl-3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 114581731
3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one
CID 96672369

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide?
The IUPAC name of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide (CID 114581597) is 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide is Cc1nc(Cl)cc(=O)n1CC(C)C(N)=O.
What is the InChIKey of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide?
The InChIKey is AKXUYVLNLCDVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-5(9(11)15)4-13-6(2)12-7(10)3-8(13)14/h3,5H,4H2,1-2H3,(H2,11,15).
What are the key properties of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide?
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide has a molecular weight of 229.67 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide is sourced from PubChem (CID 114581597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).