2-amino-4-phenylpyrimidine-5-carbonitrile

C11H8N4 — CID 723688

IUPAC2-amino-4-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N)nc1-c1ccccc1
InChIInChI=1S/C11H8N4/c12-6-9-7-14-11(13)15-10(9)8-4-2-1-3-5-8/h1-5,7H,(H2,13,14,15)
InChIKeyJYBNISLZUQBVIK-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.60
Rot. Bonds1

About 2-amino-4-phenylpyrimidine-5-carbonitrile

2-amino-4-phenylpyrimidine-5-carbonitrile (PubChem CID 723688) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-amino-4-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-phenylpyrimidine-5-carbonitrile
PubChem CID723688
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name2-amino-4-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N)nc1-c1ccccc1
InChIInChI=1S/C11H8N4/c12-6-9-7-14-11(13)15-10(9)8-4-2-1-3-5-8/h1-5,7H,(H2,13,14,15)
InChIKeyJYBNISLZUQBVIK-UHFFFAOYSA-N
XLogP1.60
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-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-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-phenylpyrimidine-5-carbonitrile (CID 723688) is 2-amino-4-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-phenylpyrimidine-5-carbonitrile is N#Cc1cnc(N)nc1-c1ccccc1.
What is the InChIKey of 2-amino-4-phenylpyrimidine-5-carbonitrile?
The InChIKey is JYBNISLZUQBVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c12-6-9-7-14-11(13)15-10(9)8-4-2-1-3-5-8/h1-5,7H,(H2,13,14,15).
What are the key properties of 2-amino-4-phenylpyrimidine-5-carbonitrile?
2-amino-4-phenylpyrimidine-5-carbonitrile has a molecular weight of 196.21 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 723688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).