4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C23H21N5 — CID 112937182

IUPAC4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2cc(-c3ccccc3)nc(NCc3ccccn3)n2)c1
InChIInChI=1S/C23H21N5/c1-17-8-7-12-19(14-17)26-22-15-21(18-9-3-2-4-10-18)27-23(28-22)25-16-20-11-5-6-13-24-20/h2-15H,16H2,1H3,(H2,25,26,27,28)
InChIKeyGOFKCGVCSKIARL-UHFFFAOYSA-N
MW367.46 g/mol
LogP5.20
Rot. Bonds6

About 4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112937182) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112937182
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2cc(-c3ccccc3)nc(NCc3ccccn3)n2)c1
InChIInChI=1S/C23H21N5/c1-17-8-7-12-19(14-17)26-22-15-21(18-9-3-2-4-10-18)27-23(28-22)25-16-20-11-5-6-13-24-20/h2-15H,16H2,1H3,(H2,25,26,27,28)
InChIKeyGOFKCGVCSKIARL-UHFFFAOYSA-N
XLogP5.20
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.46
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3,5-dimethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937130
2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936942
4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937206
2-N-(2,5-dimethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937128
6-phenyl-4-N-(1-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936948
4-N-(3-chlorophenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919326
2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112937214
2-N-(4-ethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937134
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919308
4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937172
4-N-[(4-fluorophenyl)methyl]-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937000
2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112915689

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112937182) is 4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Cc1cccc(Nc2cc(-c3ccccc3)nc(NCc3ccccn3)n2)c1.
What is the InChIKey of 4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is GOFKCGVCSKIARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-17-8-7-12-19(14-17)26-22-15-21(18-9-3-2-4-10-18)27-23(28-22)25-16-20-11-5-6-13-24-20/h2-15H,16H2,1H3,(H2,25,26,27,28).
What are the key properties of 4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 367.46 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112937182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).