2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile

C20H12FN5O — CID 56754818

IUPAC2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cnc(-c3ccco3)nc2)cc(-c2cccc(F)c2)nc1N
InChIInChI=1S/C20H12FN5O/c21-14-4-1-3-12(7-14)17-8-15(16(9-22)19(23)26-17)13-10-24-20(25-11-13)18-5-2-6-27-18/h1-8,10-11H,(H2,23,26)
InChIKeyATVIFKWLEBEOBC-UHFFFAOYSA-N
MW357.35 g/mol
LogP4.06
Rot. Bonds3

About 2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile

2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile (PubChem CID 56754818) has the molecular formula C20H12FN5O and a molecular weight of 357.35 g/mol. Its IUPAC name is 2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile
PubChem CID56754818
Molecular FormulaC20H12FN5O
Molecular Weight357.35 g/mol
Exact Mass357.10
IUPAC Name2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cnc(-c3ccco3)nc2)cc(-c2cccc(F)c2)nc1N
InChIInChI=1S/C20H12FN5O/c21-14-4-1-3-12(7-14)17-8-15(16(9-22)19(23)26-17)13-10-24-20(25-11-13)18-5-2-6-27-18/h1-8,10-11H,(H2,23,26)
InChIKeyATVIFKWLEBEOBC-UHFFFAOYSA-N
XLogP4.06
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile (CID 56754818) is 2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile is N#Cc1c(-c2cnc(-c3ccco3)nc2)cc(-c2cccc(F)c2)nc1N.
What is the InChIKey of 2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile?
The InChIKey is ATVIFKWLEBEOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN5O/c21-14-4-1-3-12(7-14)17-8-15(16(9-22)19(23)26-17)13-10-24-20(25-11-13)18-5-2-6-27-18/h1-8,10-11H,(H2,23,26).
What are the key properties of 2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile?
2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile has a molecular weight of 357.35 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56754818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).