2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C18H18N2O2 — CID 42952259

IUPAC2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(C)c(OCc2cc(=O)n3cccc(C)c3n2)c1
InChIInChI=1S/C18H18N2O2/c1-12-6-7-13(2)16(9-12)22-11-15-10-17(21)20-8-4-5-14(3)18(20)19-15/h4-10H,11H2,1-3H3
InChIKeyVLWTWJHLPUZATP-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.20
Rot. Bonds3

About 2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 42952259) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID42952259
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(C)c(OCc2cc(=O)n3cccc(C)c3n2)c1
InChIInChI=1S/C18H18N2O2/c1-12-6-7-13(2)16(9-12)22-11-15-10-17(21)20-8-4-5-14(3)18(20)19-15/h4-10H,11H2,1-3H3
InChIKeyVLWTWJHLPUZATP-UHFFFAOYSA-N
XLogP3.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 42952259) is 2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc(C)c(OCc2cc(=O)n3cccc(C)c3n2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VLWTWJHLPUZATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-6-7-13(2)16(9-12)22-11-15-10-17(21)20-8-4-5-14(3)18(20)19-15/h4-10H,11H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 294.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42952259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).