2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C20H20N2O4 — CID 2470839

IUPAC2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCc1cc(C(C)=O)ccc1OCc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C20H20N2O4/c1-13-4-7-19-21-17(9-20(24)22(19)10-13)12-26-18-6-5-15(14(2)23)8-16(18)11-25-3/h4-10H,11-12H2,1-3H3
InChIKeyLVHDBYWOEJNOEG-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.93
Rot. Bonds6

About 2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 2470839) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID2470839
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCc1cc(C(C)=O)ccc1OCc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C20H20N2O4/c1-13-4-7-19-21-17(9-20(24)22(19)10-13)12-26-18-6-5-15(14(2)23)8-16(18)11-25-3/h4-10H,11-12H2,1-3H3
InChIKeyLVHDBYWOEJNOEG-UHFFFAOYSA-N
XLogP2.93
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(methoxymethyl)benzoate
CID 7680253
7-methyl-2-[(2-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42904358
3,4-dimethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356587
2-[(2,4-dichlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 7678957
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-ethoxy-4-propoxybenzoate
CID 7680739
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-aminobenzoate
CID 7494667
2-[(4-chlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2363789
1-(3,4-dimethoxyphenyl)-3-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356603
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667188
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenylacetate
CID 7542151
4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 50802572
4-ethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356590

Frequently Asked Questions

What is the IUPAC name of 2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 2470839) is 2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is COCc1cc(C(C)=O)ccc1OCc1cc(=O)n2cc(C)ccc2n1.
What is the InChIKey of 2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LVHDBYWOEJNOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-4-7-19-21-17(9-20(24)22(19)10-13)12-26-18-6-5-15(14(2)23)8-16(18)11-25-3/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 352.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-acetyl-2-(methoxymethyl)phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2470839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).