2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile

C24H18N4 — CID 166628081

IUPAC2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESCc1ccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C24H18N4/c1-17-12-14-19(15-13-17)23-21(16-25)22(18-8-4-2-5-9-18)27-24(28-23)26-20-10-6-3-7-11-20/h2-15H,1H3,(H,26,27,28)
InChIKeyZZAJCKFJMOXCIC-UHFFFAOYSA-N
MW362.44 g/mol
LogP5.73
Rot. Bonds4

About 2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile

2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile (PubChem CID 166628081) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile
PubChem CID166628081
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESCc1ccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C24H18N4/c1-17-12-14-19(15-13-17)23-21(16-25)22(18-8-4-2-5-9-18)27-24(28-23)26-20-10-6-3-7-11-20/h2-15H,1H3,(H,26,27,28)
InChIKeyZZAJCKFJMOXCIC-UHFFFAOYSA-N
XLogP5.73
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile (CID 166628081) is 2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile is Cc1ccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)cc1.
What is the InChIKey of 2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is ZZAJCKFJMOXCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4/c1-17-12-14-19(15-13-17)23-21(16-25)22(18-8-4-2-5-9-18)27-24(28-23)26-20-10-6-3-7-11-20/h2-15H,1H3,(H,26,27,28).
What are the key properties of 2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile?
2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 362.44 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166628081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).