2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid

C13H11N3O3 — CID 102921528

IUPAC2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid
SMILESCc1cccc(NC(=O)c2cncnc2)c1C(=O)O
InChIInChI=1S/C13H11N3O3/c1-8-3-2-4-10(11(8)13(18)19)16-12(17)9-5-14-7-15-6-9/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyRLJCBBMQUFSQLW-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.74
Rot. Bonds3

About 2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid

2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid (PubChem CID 102921528) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid
PubChem CID102921528
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid
SMILESCc1cccc(NC(=O)c2cncnc2)c1C(=O)O
InChIInChI=1S/C13H11N3O3/c1-8-3-2-4-10(11(8)13(18)19)16-12(17)9-5-14-7-15-6-9/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyRLJCBBMQUFSQLW-UHFFFAOYSA-N
XLogP1.74
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dibromobenzoyl)amino]-6-methylbenzoic acid
CID 107971461
2-acetamido-6-methylbenzoic acid
CID 2801400
2-(pyrimidine-5-carbonylamino)benzoic acid
CID 110466857
N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide
CID 102921234
2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66335854
2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid
CID 102921653
2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
CID 82810542
2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid
CID 114343361
2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
CID 107013606
2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid
CID 104669683
N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805642
2-[(2,6-dimethylbenzoyl)amino]benzoic acid
CID 107999955

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid?
The IUPAC name of 2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid (CID 102921528) is 2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid.
What is the SMILES notation for 2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid?
The canonical SMILES for 2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid is Cc1cccc(NC(=O)c2cncnc2)c1C(=O)O.
What is the InChIKey of 2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid?
The InChIKey is RLJCBBMQUFSQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-8-3-2-4-10(11(8)13(18)19)16-12(17)9-5-14-7-15-6-9/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid?
2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid is sourced from PubChem (CID 102921528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).