4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide

C13H13N3O2 — CID 21109041

IUPAC4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide
SMILESCc1cc(C(=O)Nc2ncccn2)cc(C)c1O
InChIInChI=1S/C13H13N3O2/c1-8-6-10(7-9(2)11(8)17)12(18)16-13-14-4-3-5-15-13/h3-7,17H,1-2H3,(H,14,15,16,18)
InChIKeyCFAMKBWGCZNERW-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.05
Rot. Bonds2

About 4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide

4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide (PubChem CID 21109041) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide
PubChem CID21109041
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide
SMILESCc1cc(C(=O)Nc2ncccn2)cc(C)c1O
InChIInChI=1S/C13H13N3O2/c1-8-6-10(7-9(2)11(8)17)12(18)16-13-14-4-3-5-15-13/h3-7,17H,1-2H3,(H,14,15,16,18)
InChIKeyCFAMKBWGCZNERW-UHFFFAOYSA-N
XLogP2.05
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide 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

3-amino-4-methyl-N-pyrimidin-2-ylbenzamide
CID 24691828
2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110763140
4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide
CID 21109027
4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide
CID 21109039
4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 103872165
N-pyrimidin-2-ylbenzamide
CID 638481
N-pyrimidin-2-ylbenzamide;silver
CID 175574792
2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 110761559
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607
4-fluoro-N-pyrimidin-2-ylbenzamide
CID 797393
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693
2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide
CID 110695111

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide (CID 21109041) is 4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide is Cc1cc(C(=O)Nc2ncccn2)cc(C)c1O.
What is the InChIKey of 4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide?
The InChIKey is CFAMKBWGCZNERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-6-10(7-9(2)11(8)17)12(18)16-13-14-4-3-5-15-13/h3-7,17H,1-2H3,(H,14,15,16,18).
What are the key properties of 4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide?
4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide has a molecular weight of 243.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 21109041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).