2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile

C24H15N5 — CID 166632815

IUPAC2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C24H15N5/c25-15-17-8-7-11-19(14-17)23-21(16-26)22(18-9-3-1-4-10-18)28-24(29-23)27-20-12-5-2-6-13-20/h1-14H,(H,27,28,29)
InChIKeyRBQGVKZMLCDMLO-UHFFFAOYSA-N
MW373.42 g/mol
LogP5.30
Rot. Bonds4

About 2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile

2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile (PubChem CID 166632815) has the molecular formula C24H15N5 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile
PubChem CID166632815
Molecular FormulaC24H15N5
Molecular Weight373.42 g/mol
Exact Mass373.13
IUPAC Name2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C24H15N5/c25-15-17-8-7-11-19(14-17)23-21(16-26)22(18-9-3-1-4-10-18)28-24(29-23)27-20-12-5-2-6-13-20/h1-14H,(H,27,28,29)
InChIKeyRBQGVKZMLCDMLO-UHFFFAOYSA-N
XLogP5.30
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
Senexin A
CID 56927063
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
4-Amino-2,6-diphenylpyrimidine
CID 619020
4-Amino-2,6-diphenylpyrimidine-5-carbonitrile
CID 2303947
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496
4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)benzonitrile
CID 11256439
N-(4,5-diphenylpyrimidin-2-yl)acetamide
CID 12253310
2-Amino-4,6-diphenylpyrimidine-5-carbonitrile
CID 18507264
4-Phenyl-2-(phenylamino)pyrimidine-5-carbonitrile
CID 18516979
2-(p-Toluidino)-4-phenylpyrimidine-5-carbonitrile
CID 44430881

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile (CID 166632815) is 2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile is N#Cc1cccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)c1.
What is the InChIKey of 2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is RBQGVKZMLCDMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N5/c25-15-17-8-7-11-19(14-17)23-21(16-26)22(18-9-3-1-4-10-18)28-24(29-23)27-20-12-5-2-6-13-20/h1-14H,(H,27,28,29).
What are the key properties of 2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile?
2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 373.42 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166632815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).