4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid

C14H15N3O3 — CID 136958715

IUPAC4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid
SMILESCCc1nc(Nc2ccc(C(=O)O)c(C)c2)cc(=O)[nH]1
InChIInChI=1S/C14H15N3O3/c1-3-11-16-12(7-13(18)17-11)15-9-4-5-10(14(19)20)8(2)6-9/h4-7H,3H2,1-2H3,(H,19,20)(H2,15,16,17,18)
InChIKeyCGLDRJWIWBHNCG-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.08
Rot. Bonds4

About 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid

4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid (PubChem CID 136958715) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid
PubChem CID136958715
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid
SMILESCCc1nc(Nc2ccc(C(=O)O)c(C)c2)cc(=O)[nH]1
InChIInChI=1S/C14H15N3O3/c1-3-11-16-12(7-13(18)17-11)15-9-4-5-10(14(19)20)8(2)6-9/h4-7H,3H2,1-2H3,(H,19,20)(H2,15,16,17,18)
InChIKeyCGLDRJWIWBHNCG-UHFFFAOYSA-N
XLogP2.08
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(2-ethyl-6-oxo-1H-pyrimidin-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-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]benzoic acid
CID 136958542
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-fluorobenzoic acid
CID 136958898
4-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzoic acid
CID 136958484
2-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]benzoic acid
CID 136829861
4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid
CID 62963351
4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid
CID 114335396
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958362
2-methyl-4-(quinoxalin-2-ylamino)benzoic acid
CID 62360974
5-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]-2-methylbenzoic acid
CID 114574184
4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136976280
4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one
CID 137273825
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid (CID 136958715) is 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid is CCc1nc(Nc2ccc(C(=O)O)c(C)c2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid?
The InChIKey is CGLDRJWIWBHNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-11-16-12(7-13(18)17-11)15-9-4-5-10(14(19)20)8(2)6-9/h4-7H,3H2,1-2H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid?
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 136958715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).