5-phenylpyrimidine

C10H8N2 — CID 817373

IUPAC5-phenylpyrimidine
SMILESc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h1-8H
InChIKeyLVXOXXGCJHYEOS-UHFFFAOYSA-N
MW156.19 g/mol
LogP2.14
Rot. Bonds1

About 5-phenylpyrimidine

5-phenylpyrimidine (PubChem CID 817373) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-phenylpyrimidine.

Molecular Properties

Compound Name5-phenylpyrimidine
PubChem CID817373
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name5-phenylpyrimidine
SMILESc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h1-8H
InChIKeyLVXOXXGCJHYEOS-UHFFFAOYSA-N
XLogP2.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-phenylpyrimidine 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 5-phenylpyrimidine?
The IUPAC name of 5-phenylpyrimidine (CID 817373) is 5-phenylpyrimidine.
What is the SMILES notation for 5-phenylpyrimidine?
The canonical SMILES for 5-phenylpyrimidine is c1ccc(-c2cncnc2)cc1.
What is the InChIKey of 5-phenylpyrimidine?
The InChIKey is LVXOXXGCJHYEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h1-8H.
What are the key properties of 5-phenylpyrimidine?
5-phenylpyrimidine has a molecular weight of 156.19 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpyrimidine is sourced from PubChem (CID 817373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).