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

C18H11N5 — CID 166628508

IUPAC2-amino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cccc(-c2nc(N)nc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C18H11N5/c19-10-12-5-4-8-14(9-12)17-15(11-20)16(22-18(21)23-17)13-6-2-1-3-7-13/h1-9H,(H2,21,22,23)
InChIKeyQWHDOXIDJMBFKO-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.14
Rot. Bonds2

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

2-amino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile (PubChem CID 166628508) has the molecular formula C18H11N5 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-amino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile
PubChem CID166628508
Molecular FormulaC18H11N5
Molecular Weight297.32 g/mol
Exact Mass297.10
IUPAC Name2-amino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cccc(-c2nc(N)nc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C18H11N5/c19-10-12-5-4-8-14(9-12)17-15(11-20)16(22-18(21)23-17)13-6-2-1-3-7-13/h1-9H,(H2,21,22,23)
InChIKeyQWHDOXIDJMBFKO-UHFFFAOYSA-N
XLogP3.14
TPSA99.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile (CID 166628508) is 2-amino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile is N#Cc1cccc(-c2nc(N)nc(-c3ccccc3)c2C#N)c1.
What is the InChIKey of 2-amino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is QWHDOXIDJMBFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5/c19-10-12-5-4-8-14(9-12)17-15(11-20)16(22-18(21)23-17)13-6-2-1-3-7-13/h1-9H,(H2,21,22,23).
What are the key properties of 2-amino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile?
2-amino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 297.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166628508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).