4-(2-phenyl-4-pyridinyl)pyrimidine

C15H11N3 — CID 58421020

IUPAC4-(2-phenyl-4-pyridinyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccncn3)ccn2)cc1
InChIInChI=1S/C15H11N3/c1-2-4-12(5-3-1)15-10-13(6-9-17-15)14-7-8-16-11-18-14/h1-11H
InChIKeyCUMKOAVOMLVWJT-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.21
Rot. Bonds2

About 4-(2-phenyl-4-pyridinyl)pyrimidine

4-(2-phenyl-4-pyridinyl)pyrimidine (PubChem CID 58421020) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(2-phenyl-4-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-(2-phenyl-4-pyridinyl)pyrimidine
PubChem CID58421020
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name4-(2-phenyl-4-pyridinyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccncn3)ccn2)cc1
InChIInChI=1S/C15H11N3/c1-2-4-12(5-3-1)15-10-13(6-9-17-15)14-7-8-16-11-18-14/h1-11H
InChIKeyCUMKOAVOMLVWJT-UHFFFAOYSA-N
XLogP3.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-4-pyridinyl)pyrimidine?
The IUPAC name of 4-(2-phenyl-4-pyridinyl)pyrimidine (CID 58421020) is 4-(2-phenyl-4-pyridinyl)pyrimidine.
What is the SMILES notation for 4-(2-phenyl-4-pyridinyl)pyrimidine?
The canonical SMILES for 4-(2-phenyl-4-pyridinyl)pyrimidine is c1ccc(-c2cc(-c3ccncn3)ccn2)cc1.
What is the InChIKey of 4-(2-phenyl-4-pyridinyl)pyrimidine?
The InChIKey is CUMKOAVOMLVWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-2-4-12(5-3-1)15-10-13(6-9-17-15)14-7-8-16-11-18-14/h1-11H.
What are the key properties of 4-(2-phenyl-4-pyridinyl)pyrimidine?
4-(2-phenyl-4-pyridinyl)pyrimidine has a molecular weight of 233.27 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-4-pyridinyl)pyrimidine is sourced from PubChem (CID 58421020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).