4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine

C19H14F3N5 — CID 67028731

IUPAC4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine
SMILESCc1ccc2nc(-c3ccc(F)cc3)c(CNc3nc(F)cc(F)n3)n2c1
InChIInChI=1S/C19H14F3N5/c1-11-2-7-17-26-18(12-3-5-13(20)6-4-12)14(27(17)10-11)9-23-19-24-15(21)8-16(22)25-19/h2-8,10H,9H2,1H3,(H,23,24,25)
InChIKeyFPNNMBKLNJLAJM-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.13
Rot. Bonds4

About 4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine

4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine (PubChem CID 67028731) has the molecular formula C19H14F3N5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine
PubChem CID67028731
Molecular FormulaC19H14F3N5
Molecular Weight369.35 g/mol
Exact Mass369.12
IUPAC Name4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine
SMILESCc1ccc2nc(-c3ccc(F)cc3)c(CNc3nc(F)cc(F)n3)n2c1
InChIInChI=1S/C19H14F3N5/c1-11-2-7-17-26-18(12-3-5-13(20)6-4-12)14(27(17)10-11)9-23-19-24-15(21)8-16(22)25-19/h2-8,10H,9H2,1H3,(H,23,24,25)
InChIKeyFPNNMBKLNJLAJM-UHFFFAOYSA-N
XLogP4.13
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine (CID 67028731) is 4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine is Cc1ccc2nc(-c3ccc(F)cc3)c(CNc3nc(F)cc(F)n3)n2c1.
What is the InChIKey of 4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is FPNNMBKLNJLAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5/c1-11-2-7-17-26-18(12-3-5-13(20)6-4-12)14(27(17)10-11)9-23-19-24-15(21)8-16(22)25-19/h2-8,10H,9H2,1H3,(H,23,24,25).
What are the key properties of 4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine?
4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 369.35 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 67028731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).