5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid

C14H15F3N4O2 — CID 167952304

IUPAC5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc2nccn2c(NC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)8-1-3-9(4-2-8)19-13-20-10(12(22)23)7-11-18-5-6-21(11)13/h5-9H,1-4H2,(H,19,20)(H,22,23)
InChIKeyIZRMRXFPXUEFLE-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.96
Rot. Bonds3

About 5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid

5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid (PubChem CID 167952304) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid
PubChem CID167952304
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc2nccn2c(NC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)8-1-3-9(4-2-8)19-13-20-10(12(22)23)7-11-18-5-6-21(11)13/h5-9H,1-4H2,(H,19,20)(H,22,23)
InChIKeyIZRMRXFPXUEFLE-UHFFFAOYSA-N
XLogP2.96
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167901004
methyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate
CID 166368545
5-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167942127
5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167929901
5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167885370
1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 36975883
4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-2,4-diamine
CID 141374955
2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055905
2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide
CID 75509414
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 155954948
5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167972639
5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 62001027

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid (CID 167952304) is 5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid is O=C(O)c1cc2nccn2c(NC2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The InChIKey is IZRMRXFPXUEFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c15-14(16,17)8-1-3-9(4-2-8)19-13-20-10(12(22)23)7-11-18-5-6-21(11)13/h5-9H,1-4H2,(H,19,20)(H,22,23).
What are the key properties of 5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid?
5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid has a molecular weight of 328.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 167952304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).