4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine

C19H13ClF3N5O — CID 68776460

IUPAC4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCOc1ccc(C(F)(F)F)cc1Nc1nccc(-c2c(Cl)nc3ccccn23)n1
InChIInChI=1S/C19H13ClF3N5O/c1-29-14-6-5-11(19(21,22)23)10-13(14)26-18-24-8-7-12(25-18)16-17(20)27-15-4-2-3-9-28(15)16/h2-10H,1H3,(H,24,25,26)
InChIKeyLEBRNYBLDGAXOG-UHFFFAOYSA-N
MW419.79 g/mol
LogP5.22
Rot. Bonds4

About 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 68776460) has the molecular formula C19H13ClF3N5O and a molecular weight of 419.79 g/mol. Its IUPAC name is 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID68776460
Molecular FormulaC19H13ClF3N5O
Molecular Weight419.79 g/mol
Exact Mass419.08
IUPAC Name4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCOc1ccc(C(F)(F)F)cc1Nc1nccc(-c2c(Cl)nc3ccccn23)n1
InChIInChI=1S/C19H13ClF3N5O/c1-29-14-6-5-11(19(21,22)23)10-13(14)26-18-24-8-7-12(25-18)16-17(20)27-15-4-2-3-9-28(15)16/h2-10H,1H3,(H,24,25,26)
InChIKeyLEBRNYBLDGAXOG-UHFFFAOYSA-N
XLogP5.22
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.79
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-chloro-2-methoxyphenyl)pyrimidin-2-amine
CID 68776237
4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine
CID 68778138
N-(2-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 6539019
N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 74767343
N-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 68777543
4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112905023
methyl 2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzoate
CID 71044040
methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate
CID 59176943
2-N-(2-tert-butylphenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903352
N-(2-aminophenyl)-4-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide
CID 44611377
N-(2,6-difluorophenyl)-5-[3-[2-[2-ethoxy-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide
CID 59860271
4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112889503

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 68776460) is 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine is COc1ccc(C(F)(F)F)cc1Nc1nccc(-c2c(Cl)nc3ccccn23)n1.
What is the InChIKey of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is LEBRNYBLDGAXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5O/c1-29-14-6-5-11(19(21,22)23)10-13(14)26-18-24-8-7-12(25-18)16-17(20)27-15-4-2-3-9-28(15)16/h2-10H,1H3,(H,24,25,26).
What are the key properties of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 419.79 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 68776460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).