N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine

C21H17N5 — CID 3507208

IUPACN-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESc1ccc(CNc2cc(-c3ccccn3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C21H17N5/c1-2-8-16(9-3-1)15-24-20-14-19(17-10-4-6-12-22-17)25-21(26-20)18-11-5-7-13-23-18/h1-14H,15H2,(H,24,25,26)
InChIKeyNZMNZLSKCKNYMV-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.21
Rot. Bonds5

About N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine

N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine (PubChem CID 3507208) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine
PubChem CID3507208
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC NameN-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESc1ccc(CNc2cc(-c3ccccn3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C21H17N5/c1-2-8-16(9-3-1)15-24-20-14-19(17-10-4-6-12-22-17)25-21(26-20)18-11-5-7-13-23-18/h1-14H,15H2,(H,24,25,26)
InChIKeyNZMNZLSKCKNYMV-UHFFFAOYSA-N
XLogP4.21
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine 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 N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine (CID 3507208) is N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine is c1ccc(CNc2cc(-c3ccccn3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine?
The InChIKey is NZMNZLSKCKNYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-2-8-16(9-3-1)15-24-20-14-19(17-10-4-6-12-22-17)25-21(26-20)18-11-5-7-13-23-18/h1-14H,15H2,(H,24,25,26).
What are the key properties of N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine?
N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine has a molecular weight of 339.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 3507208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).