4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide

C13H12ClN3O2 — CID 114581834

IUPAC4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide
SMILESCc1nc(Cl)cc(=O)n1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H12ClN3O2/c1-8-16-11(14)6-12(18)17(8)7-9-2-4-10(5-3-9)13(15)19/h2-6H,7H2,1H3,(H2,15,19)
InChIKeyBXKAOQYCLLELFC-UHFFFAOYSA-N
MW277.71 g/mol
LogP1.35
Rot. Bonds3

About 4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide

4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide (PubChem CID 114581834) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide
PubChem CID114581834
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide
SMILESCc1nc(Cl)cc(=O)n1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H12ClN3O2/c1-8-16-11(14)6-12(18)17(8)7-9-2-4-10(5-3-9)13(15)19/h2-6H,7H2,1H3,(H2,15,19)
InChIKeyBXKAOQYCLLELFC-UHFFFAOYSA-N
XLogP1.35
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide 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-[(4-iodophenyl)methyl]-2-methylpyrimidin-4-one
CID 114581841
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114581597
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
3-[(3-amino-4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63769163
6-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyrimidin-4-one
CID 114857657
[4-[(5-carbamoyl-2-methylbenzimidazol-1-yl)methyl]phenyl]phosphonous acid
CID 155205659
6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581683
3-benzyl-6-hydroxy-2-methylpyrimidin-4-one
CID 135737348
3-butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815
6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one
CID 114581850
6-chloro-2-propan-2-yl-3-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-one
CID 114584954

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide?
The IUPAC name of 4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide (CID 114581834) is 4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide.
What is the SMILES notation for 4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide?
The canonical SMILES for 4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide is Cc1nc(Cl)cc(=O)n1Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide?
The InChIKey is BXKAOQYCLLELFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-16-11(14)6-12(18)17(8)7-9-2-4-10(5-3-9)13(15)19/h2-6H,7H2,1H3,(H2,15,19).
What are the key properties of 4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide?
4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide has a molecular weight of 277.71 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide is sourced from PubChem (CID 114581834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).