N-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine

C22H19N5 — CID 3668828

IUPACN-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCN(Cc1ccccc1)c1cc(-c2cccnc2)nc(-c2ccncc2)n1
InChIInChI=1S/C22H19N5/c1-27(16-17-6-3-2-4-7-17)21-14-20(19-8-5-11-24-15-19)25-22(26-21)18-9-12-23-13-10-18/h2-15H,16H2,1H3
InChIKeyPFRZJWIMRKBETH-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.24
Rot. Bonds5

About N-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine

N-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 3668828) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID3668828
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC NameN-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCN(Cc1ccccc1)c1cc(-c2cccnc2)nc(-c2ccncc2)n1
InChIInChI=1S/C22H19N5/c1-27(16-17-6-3-2-4-7-17)21-14-20(19-8-5-11-24-15-19)25-22(26-21)18-9-12-23-13-10-18/h2-15H,16H2,1H3
InChIKeyPFRZJWIMRKBETH-UHFFFAOYSA-N
XLogP4.24
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-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-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine (CID 3668828) is N-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine is CN(Cc1ccccc1)c1cc(-c2cccnc2)nc(-c2ccncc2)n1.
What is the InChIKey of N-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is PFRZJWIMRKBETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-27(16-17-6-3-2-4-7-17)21-14-20(19-8-5-11-24-15-19)25-22(26-21)18-9-12-23-13-10-18/h2-15H,16H2,1H3.
What are the key properties of N-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine?
N-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 353.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 3668828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).