2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C25H25N3O2 — CID 50787966

IUPAC2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3cc(C)ccc3n2)cc1
InChIInChI=1S/C25H25N3O2/c1-19-8-13-24-26-22(14-25(29)28(24)15-19)18-27(16-20-6-4-3-5-7-20)17-21-9-11-23(30-2)12-10-21/h3-15H,16-18H2,1-2H3
InChIKeyKVJILDHKFPMZOA-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.21
Rot. Bonds7

About 2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 50787966) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID50787966
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3cc(C)ccc3n2)cc1
InChIInChI=1S/C25H25N3O2/c1-19-8-13-24-26-22(14-25(29)28(24)15-19)18-27(16-20-6-4-3-5-7-20)17-21-9-11-23(30-2)12-10-21/h3-15H,16-18H2,1-2H3
InChIKeyKVJILDHKFPMZOA-UHFFFAOYSA-N
XLogP4.21
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 51535879
2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 160502622
7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787830
2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787902
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenylacetate
CID 7542151
7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17471416
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate
CID 166202772
7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357918
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 46801667
2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 166333345
2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile
CID 51098372
6-amino-1-benzyl-5-[benzyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione
CID 46595214

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 50787966) is 2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3cc(C)ccc3n2)cc1.
What is the InChIKey of 2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KVJILDHKFPMZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-19-8-13-24-26-22(14-25(29)28(24)15-19)18-27(16-20-6-4-3-5-7-20)17-21-9-11-23(30-2)12-10-21/h3-15H,16-18H2,1-2H3.
What are the key properties of 2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 399.49 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 50787966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).