N-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C19H14F3N5 — CID 44820217

IUPACN-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCc1ccc(Nc2nccc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1
InChIInChI=1S/C19H14F3N5/c1-12-5-7-13(8-6-12)24-18-23-10-9-14(25-18)16-17(19(20,21)22)26-15-4-2-3-11-27(15)16/h2-11H,1H3,(H,23,24,25)
InChIKeyKLAKYYPZKFGXBW-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.86
Rot. Bonds3

About N-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

N-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 44820217) has the molecular formula C19H14F3N5 and a molecular weight of 369.35 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID44820217
Molecular FormulaC19H14F3N5
Molecular Weight369.35 g/mol
Exact Mass369.12
IUPAC NameN-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCc1ccc(Nc2nccc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1
InChIInChI=1S/C19H14F3N5/c1-12-5-7-13(8-6-12)24-18-23-10-9-14(25-18)16-17(19(20,21)22)26-15-4-2-3-11-27(15)16/h2-11H,1H3,(H,23,24,25)
InChIKeyKLAKYYPZKFGXBW-UHFFFAOYSA-N
XLogP4.86
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 44820217) is N-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is Cc1ccc(Nc2nccc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is KLAKYYPZKFGXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5/c1-12-5-7-13(8-6-12)24-18-23-10-9-14(25-18)16-17(19(20,21)22)26-15-4-2-3-11-27(15)16/h2-11H,1H3,(H,23,24,25).
What are the key properties of N-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
N-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 369.35 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 44820217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).