N-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine

C22H19N5 — CID 4295222

IUPACN-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESCC(Nc1cc(-c2ccccn2)nc(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C22H19N5/c1-16(17-9-3-2-4-10-17)25-21-15-20(18-11-5-7-13-23-18)26-22(27-21)19-12-6-8-14-24-19/h2-16H,1H3,(H,25,26,27)
InChIKeyNJXAXNHNWJXUJG-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.77
Rot. Bonds5

About N-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine

N-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine (PubChem CID 4295222) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
PubChem CID4295222
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC NameN-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESCC(Nc1cc(-c2ccccn2)nc(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C22H19N5/c1-16(17-9-3-2-4-10-17)25-21-15-20(18-11-5-7-13-23-18)26-22(27-21)19-12-6-8-14-24-19/h2-16H,1H3,(H,25,26,27)
InChIKeyNJXAXNHNWJXUJG-UHFFFAOYSA-N
XLogP4.77
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine (CID 4295222) is N-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine is CC(Nc1cc(-c2ccccn2)nc(-c2ccccn2)n1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
The InChIKey is NJXAXNHNWJXUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-16(17-9-3-2-4-10-17)25-21-15-20(18-11-5-7-13-23-18)26-22(27-21)19-12-6-8-14-24-19/h2-16H,1H3,(H,25,26,27).
What are the key properties of N-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
N-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine has a molecular weight of 353.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 4295222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).