5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid

C14H15N3O3 — CID 66332455

IUPAC5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid
SMILESCOc1cc(Nc2ccc(C)c(C(=O)O)c2)nc(C)n1
InChIInChI=1S/C14H15N3O3/c1-8-4-5-10(6-11(8)14(18)19)17-12-7-13(20-3)16-9(2)15-12/h4-7H,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyMFHHTOJHAULWNV-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.54
Rot. Bonds4

About 5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid

5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid (PubChem CID 66332455) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid
PubChem CID66332455
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid
SMILESCOc1cc(Nc2ccc(C)c(C(=O)O)c2)nc(C)n1
InChIInChI=1S/C14H15N3O3/c1-8-4-5-10(6-11(8)14(18)19)17-12-7-13(20-3)16-9(2)15-12/h4-7H,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyMFHHTOJHAULWNV-UHFFFAOYSA-N
XLogP2.54
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid 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

2-chloro-5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66331229
2-methyl-5-[(2-methylpyrimidin-4-yl)amino]benzoic acid
CID 63653352
2-chloro-5-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66333309
5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid
CID 114765404
6-methoxy-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpyrimidin-4-amine
CID 121013131
2-methyl-5-[(6-methylpyrimidin-4-yl)amino]benzoic acid
CID 63653356
4-[[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193283
4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66331884
5-[(2-chloropyrimidin-4-yl)amino]-2-methylbenzoic acid
CID 142717352
3-bromo-4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66333268
2-chloro-4-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 42474385
N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 42474727

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid (CID 66332455) is 5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid is COc1cc(Nc2ccc(C)c(C(=O)O)c2)nc(C)n1.
What is the InChIKey of 5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid?
The InChIKey is MFHHTOJHAULWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-4-5-10(6-11(8)14(18)19)17-12-7-13(20-3)16-9(2)15-12/h4-7H,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of 5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid?
5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 66332455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).