4-phenyl-6-propylpyrimidine-2-carbonitrile

C14H13N3 — CID 46882093

IUPAC4-phenyl-6-propylpyrimidine-2-carbonitrile
SMILESCCCc1cc(-c2ccccc2)nc(C#N)n1
InChIInChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3
InChIKeyIUPDRSKJKKTVKP-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.97
Rot. Bonds3

About 4-phenyl-6-propylpyrimidine-2-carbonitrile

4-phenyl-6-propylpyrimidine-2-carbonitrile (PubChem CID 46882093) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-phenyl-6-propylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-phenyl-6-propylpyrimidine-2-carbonitrile
PubChem CID46882093
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4-phenyl-6-propylpyrimidine-2-carbonitrile
SMILESCCCc1cc(-c2ccccc2)nc(C#N)n1
InChIInChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3
InChIKeyIUPDRSKJKKTVKP-UHFFFAOYSA-N
XLogP2.97
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-6-propylpyrimidine-2-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 4-phenyl-6-propylpyrimidine-2-carbonitrile?
The IUPAC name of 4-phenyl-6-propylpyrimidine-2-carbonitrile (CID 46882093) is 4-phenyl-6-propylpyrimidine-2-carbonitrile.
What is the SMILES notation for 4-phenyl-6-propylpyrimidine-2-carbonitrile?
The canonical SMILES for 4-phenyl-6-propylpyrimidine-2-carbonitrile is CCCc1cc(-c2ccccc2)nc(C#N)n1.
What is the InChIKey of 4-phenyl-6-propylpyrimidine-2-carbonitrile?
The InChIKey is IUPDRSKJKKTVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 4-phenyl-6-propylpyrimidine-2-carbonitrile?
4-phenyl-6-propylpyrimidine-2-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-propylpyrimidine-2-carbonitrile is sourced from PubChem (CID 46882093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).