2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile

C23H18N6 — CID 112937214

IUPAC2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1cc(-c2ccccc2)nc(NCc2ccccn2)n1
InChIInChI=1S/C23H18N6/c24-15-18-10-4-5-12-20(18)27-22-14-21(17-8-2-1-3-9-17)28-23(29-22)26-16-19-11-6-7-13-25-19/h1-14H,16H2,(H2,26,27,28,29)
InChIKeyKVUIZSZIYKVCBJ-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.77
Rot. Bonds6

About 2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile

2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile (PubChem CID 112937214) has the molecular formula C23H18N6 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
PubChem CID112937214
Molecular FormulaC23H18N6
Molecular Weight378.44 g/mol
Exact Mass378.16
IUPAC Name2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1cc(-c2ccccc2)nc(NCc2ccccn2)n1
InChIInChI=1S/C23H18N6/c24-15-18-10-4-5-12-20(18)27-22-14-21(17-8-2-1-3-9-17)28-23(29-22)26-16-19-11-6-7-13-25-19/h1-14H,16H2,(H2,26,27,28,29)
InChIKeyKVUIZSZIYKVCBJ-UHFFFAOYSA-N
XLogP4.77
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112936996
4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937206
4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937182
2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 59340687
2-[[4-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]benzonitrile
CID 112936986
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-[(4-methylphenyl)methyl]-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936942
6-phenyl-4-N-(1-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936948
2-N-(2,5-dimethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937128
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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile?
The IUPAC name of 2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile (CID 112937214) is 2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile?
The canonical SMILES for 2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile is N#Cc1ccccc1Nc1cc(-c2ccccc2)nc(NCc2ccccn2)n1.
What is the InChIKey of 2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile?
The InChIKey is KVUIZSZIYKVCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6/c24-15-18-10-4-5-12-20(18)27-22-14-21(17-8-2-1-3-9-17)28-23(29-22)26-16-19-11-6-7-13-25-19/h1-14H,16H2,(H2,26,27,28,29).
What are the key properties of 2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile?
2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile has a molecular weight of 378.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 112937214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).