4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile

C24H19N5 — CID 112881231

IUPAC4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2cc(NCc3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H19N5/c25-16-18-11-13-21(14-12-18)27-23-15-22(26-17-19-7-3-1-4-8-19)28-24(29-23)20-9-5-2-6-10-20/h1-15H,17H2,(H2,26,27,28,29)
InChIKeyJEDYSFDWUDWTJH-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.37
Rot. Bonds6

About 4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile

4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile (PubChem CID 112881231) has the molecular formula C24H19N5 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
PubChem CID112881231
Molecular FormulaC24H19N5
Molecular Weight377.45 g/mol
Exact Mass377.16
IUPAC Name4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2cc(NCc3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H19N5/c25-16-18-11-13-21(14-12-18)27-23-15-22(26-17-19-7-3-1-4-8-19)28-24(29-23)20-9-5-2-6-10-20/h1-15H,17H2,(H2,26,27,28,29)
InChIKeyJEDYSFDWUDWTJH-UHFFFAOYSA-N
XLogP5.37
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112879566
4-[[4-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112937400
4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112937018
3-[[6-(benzylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112871646
3-[[6-(3-cyanoanilino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881724
3-[[6-(furan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881212
4-[[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112871775
4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881441
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112871574
4-[[6-phenyl-2-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112932629
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile?
The IUPAC name of 4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile (CID 112881231) is 4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile?
The canonical SMILES for 4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile is N#Cc1ccc(Nc2cc(NCc3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile?
The InChIKey is JEDYSFDWUDWTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5/c25-16-18-11-13-21(14-12-18)27-23-15-22(26-17-19-7-3-1-4-8-19)28-24(29-23)20-9-5-2-6-10-20/h1-15H,17H2,(H2,26,27,28,29).
What are the key properties of 4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile?
4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile has a molecular weight of 377.45 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 112881231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).