5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine

C16H13N3 — CID 57330079

IUPAC5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine
SMILESc1ccc(-c2ccc(Cc3cncnc3)cn2)cc1
InChIInChI=1S/C16H13N3/c1-2-4-15(5-3-1)16-7-6-13(11-19-16)8-14-9-17-12-18-10-14/h1-7,9-12H,8H2
InChIKeyYDOLRMXQHPZXPF-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.13
Rot. Bonds3

About 5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine

5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine (PubChem CID 57330079) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine.

Molecular Properties

Compound Name5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine
PubChem CID57330079
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine
SMILESc1ccc(-c2ccc(Cc3cncnc3)cn2)cc1
InChIInChI=1S/C16H13N3/c1-2-4-15(5-3-1)16-7-6-13(11-19-16)8-14-9-17-12-18-10-14/h1-7,9-12H,8H2
InChIKeyYDOLRMXQHPZXPF-UHFFFAOYSA-N
XLogP3.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine 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-[(6-phenyl-3-pyridinyl)methyl]pyrimidine?
The IUPAC name of 5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine (CID 57330079) is 5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine.
What is the SMILES notation for 5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine?
The canonical SMILES for 5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine is c1ccc(-c2ccc(Cc3cncnc3)cn2)cc1.
What is the InChIKey of 5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine?
The InChIKey is YDOLRMXQHPZXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-2-4-15(5-3-1)16-7-6-13(11-19-16)8-14-9-17-12-18-10-14/h1-7,9-12H,8H2.
What are the key properties of 5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine?
5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine has a molecular weight of 247.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-phenyl-3-pyridinyl)methyl]pyrimidine is sourced from PubChem (CID 57330079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).