5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid

C10H8F3N3O2 — CID 115405181

IUPAC5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1cc(C)n2c(C(=O)O)c(C(F)(F)F)nc2n1
InChIInChI=1S/C10H8F3N3O2/c1-4-3-5(2)16-6(8(17)18)7(10(11,12)13)15-9(16)14-4/h3H,1-2H3,(H,17,18)
InChIKeyAHKGTYKZJWASAP-UHFFFAOYSA-N
MW259.19 g/mol
LogP2.06
Rot. Bonds1

About 5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid

5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 115405181) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID115405181
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1cc(C)n2c(C(=O)O)c(C(F)(F)F)nc2n1
InChIInChI=1S/C10H8F3N3O2/c1-4-3-5(2)16-6(8(17)18)7(10(11,12)13)15-9(16)14-4/h3H,1-2H3,(H,17,18)
InChIKeyAHKGTYKZJWASAP-UHFFFAOYSA-N
XLogP2.06
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035938
6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 19257215
2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid
CID 139779339
3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 141394707
3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035537
2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 82389554
3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035582
3-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-methylpropanoic acid
CID 105494292
5,7-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 27052907
3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035290
8-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 79020466
3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 90460143

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid (CID 115405181) is 5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid is Cc1cc(C)n2c(C(=O)O)c(C(F)(F)F)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is AHKGTYKZJWASAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-4-3-5(2)16-6(8(17)18)7(10(11,12)13)15-9(16)14-4/h3H,1-2H3,(H,17,18).
What are the key properties of 5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid?
5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 259.19 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 115405181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).