2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid

C15H15N3O3 — CID 146127196

IUPAC2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid
SMILESCc1nccc(C(=O)Nc2cc(C(=O)O)c(C)cc2C)n1
InChIInChI=1S/C15H15N3O3/c1-8-6-9(2)13(7-11(8)15(20)21)18-14(19)12-4-5-16-10(3)17-12/h4-7H,1-3H3,(H,18,19)(H,20,21)
InChIKeyFJERQSQOSOQYFQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.35
Rot. Bonds3

About 2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid

2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid (PubChem CID 146127196) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid
PubChem CID146127196
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid
SMILESCc1nccc(C(=O)Nc2cc(C(=O)O)c(C)cc2C)n1
InChIInChI=1S/C15H15N3O3/c1-8-6-9(2)13(7-11(8)15(20)21)18-14(19)12-4-5-16-10(3)17-12/h4-7H,1-3H3,(H,18,19)(H,20,21)
InChIKeyFJERQSQOSOQYFQ-UHFFFAOYSA-N
XLogP2.35
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 47255494
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120
5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid
CID 71283341
N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 47255119
N-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109297242
2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide
CID 51122601
(2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid
CID 110836208
6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453126
CID 162313209
CID 162313209
2-methyl-5-[(2-methylpyrimidin-4-yl)amino]benzoic acid
CID 63653352
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 60547417

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid (CID 146127196) is 2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid is Cc1nccc(C(=O)Nc2cc(C(=O)O)c(C)cc2C)n1.
What is the InChIKey of 2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid?
The InChIKey is FJERQSQOSOQYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-8-6-9(2)13(7-11(8)15(20)21)18-14(19)12-4-5-16-10(3)17-12/h4-7H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid?
2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 146127196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).