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

C24H18FN5 — CID 112937018

IUPAC4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2cc(-c3ccccc3)nc(NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H18FN5/c25-20-10-6-18(7-11-20)16-27-24-29-22(19-4-2-1-3-5-19)14-23(30-24)28-21-12-8-17(15-26)9-13-21/h1-14H,16H2,(H2,27,28,29,30)
InChIKeyAPDGOGWVFXYZIC-UHFFFAOYSA-N
MW395.44 g/mol
LogP5.51
Rot. Bonds6

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

4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile (PubChem CID 112937018) has the molecular formula C24H18FN5 and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
PubChem CID112937018
Molecular FormulaC24H18FN5
Molecular Weight395.44 g/mol
Exact Mass395.15
IUPAC Name4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2cc(-c3ccccc3)nc(NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H18FN5/c25-20-10-6-18(7-11-20)16-27-24-29-22(19-4-2-1-3-5-19)14-23(30-24)28-21-12-8-17(15-26)9-13-21/h1-14H,16H2,(H2,27,28,29,30)
InChIKeyAPDGOGWVFXYZIC-UHFFFAOYSA-N
XLogP5.51
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-phenyl-2-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112932629
4-[[2-(butylamino)-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112933699
4-[[4-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112937400
4-[[4-phenyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112932494
4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881231
4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935315
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933264
3-[[6-phenyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112937338
4-[(4-fluorophenyl)methylamino]benzonitrile
CID 22353725
4-N-[(4-fluorophenyl)methyl]-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937000
4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]benzonitrile
CID 112934407

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile?
The IUPAC name of 4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile (CID 112937018) is 4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile?
The canonical SMILES for 4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile is N#Cc1ccc(Nc2cc(-c3ccccc3)nc(NCc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile?
The InChIKey is APDGOGWVFXYZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5/c25-20-10-6-18(7-11-20)16-27-24-29-22(19-4-2-1-3-5-19)14-23(30-24)28-21-12-8-17(15-26)9-13-21/h1-14H,16H2,(H2,27,28,29,30).
What are the key properties of 4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile?
4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile has a molecular weight of 395.44 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 112937018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).