2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C23H29N3O3 — CID 50787975

IUPAC2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)CC(C)C)cc1OC
InChIInChI=1S/C23H29N3O3/c1-16(2)13-25(14-18-6-7-20(28-4)21(11-18)29-5)15-19-12-23(27)26-9-8-17(3)10-22(26)24-19/h6-12,16H,13-15H2,1-5H3
InChIKeyWTEOFZVEEOFQAB-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.68
Rot. Bonds8

About 2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 50787975) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID50787975
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)CC(C)C)cc1OC
InChIInChI=1S/C23H29N3O3/c1-16(2)13-25(14-18-6-7-20(28-4)21(11-18)29-5)15-19-12-23(27)26-9-8-17(3)10-22(26)24-19/h6-12,16H,13-15H2,1-5H3
InChIKeyWTEOFZVEEOFQAB-UHFFFAOYSA-N
XLogP3.68
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

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
2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787885
7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787841
methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate
CID 60660188
5-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46382076
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790854
1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-2-methylpropan-2-ol
CID 24714459
2-[[(2,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(3-hydroxy-2,4-dimethoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxy-2-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 162009945
7-[[2-methylpropyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357900
5-[[(4-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46382027
(2S)-1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-2-methylbut-3-en-2-ol
CID 93166056
2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8552516

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 50787975) is 2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)CC(C)C)cc1OC.
What is the InChIKey of 2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WTEOFZVEEOFQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(2)13-25(14-18-6-7-20(28-4)21(11-18)29-5)15-19-12-23(27)26-9-8-17(3)10-22(26)24-19/h6-12,16H,13-15H2,1-5H3.
What are the key properties of 2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 395.50 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 50787975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).