4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide

C12H11N3O2 — CID 103872165

IUPAC4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide
SMILESCc1cc(O)ccc1C(=O)Nc1ncccn1
InChIInChI=1S/C12H11N3O2/c1-8-7-9(16)3-4-10(8)11(17)15-12-13-5-2-6-14-12/h2-7,16H,1H3,(H,13,14,15,17)
InChIKeyNTQYRZMIESGDAQ-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.74
Rot. Bonds2

About 4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide

4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide (PubChem CID 103872165) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide
PubChem CID103872165
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide
SMILESCc1cc(O)ccc1C(=O)Nc1ncccn1
InChIInChI=1S/C12H11N3O2/c1-8-7-9(16)3-4-10(8)11(17)15-12-13-5-2-6-14-12/h2-7,16H,1H3,(H,13,14,15,17)
InChIKeyNTQYRZMIESGDAQ-UHFFFAOYSA-N
XLogP1.74
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693
2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110763140
3-[(4-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107670919
4-hydroxy-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 103863704
N-(2,5-dichloro-4-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671657
N-(2-chloro-6-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 103865613
5-[(4-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107670888
4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 21109041
4-hydroxy-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 103867304
2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 110761559
4-hydroxy-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 113341390
4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide
CID 103863779

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide (CID 103872165) is 4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide is Cc1cc(O)ccc1C(=O)Nc1ncccn1.
What is the InChIKey of 4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide?
The InChIKey is NTQYRZMIESGDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-8-7-9(16)3-4-10(8)11(17)15-12-13-5-2-6-14-12/h2-7,16H,1H3,(H,13,14,15,17).
What are the key properties of 4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide?
4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide has a molecular weight of 229.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 103872165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).