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

C24H18FN5 — CID 112936986

IUPAC2-[[4-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1nc(NCc2ccccc2F)cc(-c2ccccc2)n1
InChIInChI=1S/C24H18FN5/c25-20-12-6-4-11-19(20)16-27-23-14-22(17-8-2-1-3-9-17)29-24(30-23)28-21-13-7-5-10-18(21)15-26/h1-14H,16H2,(H2,27,28,29,30)
InChIKeyDMBYRCBXVQSGOH-UHFFFAOYSA-N
MW395.44 g/mol
LogP5.51
Rot. Bonds6

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

2-[[4-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]benzonitrile (PubChem CID 112936986) has the molecular formula C24H18FN5 and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-[[4-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[4-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]benzonitrile
PubChem CID112936986
Molecular FormulaC24H18FN5
Molecular Weight395.44 g/mol
Exact Mass395.15
IUPAC Name2-[[4-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1nc(NCc2ccccc2F)cc(-c2ccccc2)n1
InChIInChI=1S/C24H18FN5/c25-20-12-6-4-11-19(20)16-27-23-14-22(17-8-2-1-3-9-17)29-24(30-23)28-21-13-7-5-10-18(21)15-26/h1-14H,16H2,(H2,27,28,29,30)
InChIKeyDMBYRCBXVQSGOH-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

2-[[2-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112936996
2-[[4-(oxolan-2-ylmethylamino)-6-phenylpyrimidin-2-yl]amino]benzonitrile
CID 112935683
2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112937214
2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936763
2-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932408
4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932542
2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330790
4-[[4-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112937400
2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917319
2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112911497
2-[(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112934646
2-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933276

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]benzonitrile?
The IUPAC name of 2-[[4-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]benzonitrile (CID 112936986) is 2-[[4-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[4-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]benzonitrile?
The canonical SMILES for 2-[[4-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]benzonitrile is N#Cc1ccccc1Nc1nc(NCc2ccccc2F)cc(-c2ccccc2)n1.
What is the InChIKey of 2-[[4-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]benzonitrile?
The InChIKey is DMBYRCBXVQSGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5/c25-20-12-6-4-11-19(20)16-27-23-14-22(17-8-2-1-3-9-17)29-24(30-23)28-21-13-7-5-10-18(21)15-26/h1-14H,16H2,(H2,27,28,29,30).
What are the key properties of 2-[[4-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]benzonitrile?
2-[[4-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-2-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 2-[[4-[(2-fluorophenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]benzonitrile is sourced from PubChem (CID 112936986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).