2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C22H18N4 — CID 59340687

IUPAC2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESc1ccc(-c2cc(NCc3ccccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H18N4/c1-3-9-17(10-4-1)20-15-21(24-16-19-13-7-8-14-23-19)26-22(25-20)18-11-5-2-6-12-18/h1-15H,16H2,(H,24,25,26)
InChIKeyURMYNSNDBGWVBM-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.82
Rot. Bonds5

About 2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 59340687) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID59340687
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESc1ccc(-c2cc(NCc3ccccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H18N4/c1-3-9-17(10-4-1)20-15-21(24-16-19-13-7-8-14-23-19)26-22(25-20)18-11-5-2-6-12-18/h1-15H,16H2,(H,24,25,26)
InChIKeyURMYNSNDBGWVBM-UHFFFAOYSA-N
XLogP4.82
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-2-yl-6-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 69182655
4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112881334
2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936942
4-N-[(4-fluorophenyl)methyl]-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937000
6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112881321
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936733
2-N-(3,5-dimethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937130
N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112851864
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354
2-N-(4-ethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937134
2-N-(2,5-dimethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937128
4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937172

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 59340687) is 2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is c1ccc(-c2cc(NCc3ccccn3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is URMYNSNDBGWVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-3-9-17(10-4-1)20-15-21(24-16-19-13-7-8-14-23-19)26-22(25-20)18-11-5-2-6-12-18/h1-15H,16H2,(H,24,25,26).
What are the key properties of 2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 338.41 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 59340687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).