2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium

C15H13N2+ — CID 796725

IUPAC2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium
SMILESCc1cc(-c2ccccc2)[n+]2ccccc2n1
InChIInChI=1S/C15H13N2/c1-12-11-14(13-7-3-2-4-8-13)17-10-6-5-9-15(17)16-12/h2-11H,1H3/q+1
InChIKeyJLLVSZKOLJYGEP-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.80
Rot. Bonds1

About 2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium

2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium (PubChem CID 796725) has the molecular formula C15H13N2+ and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium.

Molecular Properties

Compound Name2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium
PubChem CID796725
Molecular FormulaC15H13N2+
Molecular Weight221.28 g/mol
Exact Mass221.11
IUPAC Name2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium
SMILESCc1cc(-c2ccccc2)[n+]2ccccc2n1
InChIInChI=1S/C15H13N2/c1-12-11-14(13-7-3-2-4-8-13)17-10-6-5-9-15(17)16-12/h2-11H,1H3/q+1
InChIKeyJLLVSZKOLJYGEP-UHFFFAOYSA-N
XLogP2.80
TPSA16.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium 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-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium?
The IUPAC name of 2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium (CID 796725) is 2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium.
What is the SMILES notation for 2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium?
The canonical SMILES for 2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium is Cc1cc(-c2ccccc2)[n+]2ccccc2n1.
What is the InChIKey of 2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium?
The InChIKey is JLLVSZKOLJYGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N2/c1-12-11-14(13-7-3-2-4-8-13)17-10-6-5-9-15(17)16-12/h2-11H,1H3/q+1.
What are the key properties of 2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium?
2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium has a molecular weight of 221.28 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylpyrido[1,2-a]pyrimidin-5-ium is sourced from PubChem (CID 796725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).