2-anilino-4,6-diphenylpyrimidine-5-carbonitrile

C23H16N4 — CID 166629365

IUPAC2-anilino-4,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H16N4/c24-16-20-21(17-10-4-1-5-11-17)26-23(25-19-14-8-3-9-15-19)27-22(20)18-12-6-2-7-13-18/h1-15H,(H,25,26,27)
InChIKeyZUBMCJJTNUKCAN-UHFFFAOYSA-N
MW348.41 g/mol
LogP5.43
Rot. Bonds4

About 2-anilino-4,6-diphenylpyrimidine-5-carbonitrile

2-anilino-4,6-diphenylpyrimidine-5-carbonitrile (PubChem CID 166629365) has the molecular formula C23H16N4 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-anilino-4,6-diphenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-anilino-4,6-diphenylpyrimidine-5-carbonitrile
PubChem CID166629365
Molecular FormulaC23H16N4
Molecular Weight348.41 g/mol
Exact Mass348.14
IUPAC Name2-anilino-4,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H16N4/c24-16-20-21(17-10-4-1-5-11-17)26-23(25-19-14-8-3-9-15-19)27-22(20)18-12-6-2-7-13-18/h1-15H,(H,25,26,27)
InChIKeyZUBMCJJTNUKCAN-UHFFFAOYSA-N
XLogP5.43
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4,6-diphenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-anilino-4,6-diphenylpyrimidine-5-carbonitrile (CID 166629365) is 2-anilino-4,6-diphenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-anilino-4,6-diphenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-anilino-4,6-diphenylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-anilino-4,6-diphenylpyrimidine-5-carbonitrile?
The InChIKey is ZUBMCJJTNUKCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4/c24-16-20-21(17-10-4-1-5-11-17)26-23(25-19-14-8-3-9-15-19)27-22(20)18-12-6-2-7-13-18/h1-15H,(H,25,26,27).
What are the key properties of 2-anilino-4,6-diphenylpyrimidine-5-carbonitrile?
2-anilino-4,6-diphenylpyrimidine-5-carbonitrile has a molecular weight of 348.41 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4,6-diphenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166629365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).