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

C22H19N5 — CID 3515364

IUPACN-benzyl-N-methyl-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESCN(Cc1ccccc1)c1cc(-c2ccccn2)nc(-c2ccccn2)n1
InChIInChI=1S/C22H19N5/c1-27(16-17-9-3-2-4-10-17)21-15-20(18-11-5-7-13-23-18)25-22(26-21)19-12-6-8-14-24-19/h2-15H,16H2,1H3
InChIKeyPKGMRTBFJQFSHW-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.24
Rot. Bonds5

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

N-benzyl-N-methyl-2,6-dipyridin-2-ylpyrimidin-4-amine (PubChem CID 3515364) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-benzyl-N-methyl-2,6-dipyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2,6-dipyridin-2-ylpyrimidin-4-amine
PubChem CID3515364
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC NameN-benzyl-N-methyl-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESCN(Cc1ccccc1)c1cc(-c2ccccn2)nc(-c2ccccn2)n1
InChIInChI=1S/C22H19N5/c1-27(16-17-9-3-2-4-10-17)21-15-20(18-11-5-7-13-23-18)25-22(26-21)19-12-6-8-14-24-19/h2-15H,16H2,1H3
InChIKeyPKGMRTBFJQFSHW-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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2,6-dipyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-N-methyl-2,6-dipyridin-2-ylpyrimidin-4-amine (CID 3515364) is N-benzyl-N-methyl-2,6-dipyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N-methyl-2,6-dipyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-N-methyl-2,6-dipyridin-2-ylpyrimidin-4-amine is CN(Cc1ccccc1)c1cc(-c2ccccn2)nc(-c2ccccn2)n1.
What is the InChIKey of N-benzyl-N-methyl-2,6-dipyridin-2-ylpyrimidin-4-amine?
The InChIKey is PKGMRTBFJQFSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-27(16-17-9-3-2-4-10-17)21-15-20(18-11-5-7-13-23-18)25-22(26-21)19-12-6-8-14-24-19/h2-15H,16H2,1H3.
What are the key properties of N-benzyl-N-methyl-2,6-dipyridin-2-ylpyrimidin-4-amine?
N-benzyl-N-methyl-2,6-dipyridin-2-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-2,6-dipyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 3515364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).