2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one

C16H14N2O2 — CID 10730461

IUPAC2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n3ccc(C)cc3n2)cc1
InChIInChI=1S/C16H14N2O2/c1-11-7-8-18-15(9-11)17-14(10-16(18)19)12-3-5-13(20-2)6-4-12/h3-10H,1-2H3
InChIKeyZELVCRJHBFNTAJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.68
Rot. Bonds2

About 2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one

2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 10730461) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID10730461
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n3ccc(C)cc3n2)cc1
InChIInChI=1S/C16H14N2O2/c1-11-7-8-18-15(9-11)17-14(10-16(18)19)12-3-5-13(20-2)6-4-12/h3-10H,1-2H3
InChIKeyZELVCRJHBFNTAJ-UHFFFAOYSA-N
XLogP2.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 10730461) is 2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2cc(=O)n3ccc(C)cc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZELVCRJHBFNTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-7-8-18-15(9-11)17-14(10-16(18)19)12-3-5-13(20-2)6-4-12/h3-10H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10730461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).