6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid

C15H13N3O2 — CID 117000217

IUPAC6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(C)cc(-c2cnc3nc(C(=O)O)cn3c2)c1
InChIInChI=1S/C15H13N3O2/c1-9-3-10(2)5-11(4-9)12-6-16-15-17-13(14(19)20)8-18(15)7-12/h3-8H,1-2H3,(H,19,20)
InChIKeyDDRPZJISQXIEKJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.71
Rot. Bonds2

About 6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid

6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 117000217) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID117000217
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(C)cc(-c2cnc3nc(C(=O)O)cn3c2)c1
InChIInChI=1S/C15H13N3O2/c1-9-3-10(2)5-11(4-9)12-6-16-15-17-13(14(19)20)8-18(15)7-12/h3-8H,1-2H3,(H,19,20)
InChIKeyDDRPZJISQXIEKJ-UHFFFAOYSA-N
XLogP2.71
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic 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

6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 122571829
5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
CID 79691259
5-(3-chloro-5-methylphenyl)pyridine-2-carboxylic acid
CID 53223480
6-(3,5-difluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 83558087
8-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 130064867
6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 155885484
1-(3,5-dimethylphenyl)imidazole-4-carboxylic acid
CID 62057706
2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
CID 82212282
6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid
CID 125488527
4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 138663412
6-methylimidazo[1,2-a]pyrimidin-2-ol
CID 55266445

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 117000217) is 6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid is Cc1cc(C)cc(-c2cnc3nc(C(=O)O)cn3c2)c1.
What is the InChIKey of 6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is DDRPZJISQXIEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-3-10(2)5-11(4-9)12-6-16-15-17-13(14(19)20)8-18(15)7-12/h3-8H,1-2H3,(H,19,20).
What are the key properties of 6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 117000217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).