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

C21H17N2+ — CID 1337260

IUPAC8-methyl-2,4-diphenylpyrido[1,2-a]pyrimidin-5-ium
SMILESCc1cc[n+]2c(-c3ccccc3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H17N2/c1-16-12-13-23-20(18-10-6-3-7-11-18)15-19(22-21(23)14-16)17-8-4-2-5-9-17/h2-15H,1H3/q+1
InChIKeyBKLKOEGIFTUGJL-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.46
Rot. Bonds2

About 8-methyl-2,4-diphenylpyrido[1,2-a]pyrimidin-5-ium

8-methyl-2,4-diphenylpyrido[1,2-a]pyrimidin-5-ium (PubChem CID 1337260) has the molecular formula C21H17N2+ and a molecular weight of 297.38 g/mol. Its IUPAC name is 8-methyl-2,4-diphenylpyrido[1,2-a]pyrimidin-5-ium.

Molecular Properties

Compound Name8-methyl-2,4-diphenylpyrido[1,2-a]pyrimidin-5-ium
PubChem CID1337260
Molecular FormulaC21H17N2+
Molecular Weight297.38 g/mol
Exact Mass297.14
IUPAC Name8-methyl-2,4-diphenylpyrido[1,2-a]pyrimidin-5-ium
SMILESCc1cc[n+]2c(-c3ccccc3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H17N2/c1-16-12-13-23-20(18-10-6-3-7-11-18)15-19(22-21(23)14-16)17-8-4-2-5-9-17/h2-15H,1H3/q+1
InChIKeyBKLKOEGIFTUGJL-UHFFFAOYSA-N
XLogP4.46
TPSA16.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,4-diphenylpyrido[1,2-a]pyrimidin-5-ium?
The IUPAC name of 8-methyl-2,4-diphenylpyrido[1,2-a]pyrimidin-5-ium (CID 1337260) is 8-methyl-2,4-diphenylpyrido[1,2-a]pyrimidin-5-ium.
What is the SMILES notation for 8-methyl-2,4-diphenylpyrido[1,2-a]pyrimidin-5-ium?
The canonical SMILES for 8-methyl-2,4-diphenylpyrido[1,2-a]pyrimidin-5-ium is Cc1cc[n+]2c(-c3ccccc3)cc(-c3ccccc3)nc2c1.
What is the InChIKey of 8-methyl-2,4-diphenylpyrido[1,2-a]pyrimidin-5-ium?
The InChIKey is BKLKOEGIFTUGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N2/c1-16-12-13-23-20(18-10-6-3-7-11-18)15-19(22-21(23)14-16)17-8-4-2-5-9-17/h2-15H,1H3/q+1.
What are the key properties of 8-methyl-2,4-diphenylpyrido[1,2-a]pyrimidin-5-ium?
8-methyl-2,4-diphenylpyrido[1,2-a]pyrimidin-5-ium has a molecular weight of 297.38 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,4-diphenylpyrido[1,2-a]pyrimidin-5-ium is sourced from PubChem (CID 1337260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).