2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C21H25N3O3 — CID 8552516

IUPAC2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CCN(C)Cc2cc(=O)n3c(C)cccc3n2)cc1OC
InChIInChI=1S/C21H25N3O3/c1-15-6-5-7-20-22-17(13-21(25)24(15)20)14-23(2)11-10-16-8-9-18(26-3)19(12-16)27-4/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyKSQPGGPPNNWGAK-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.69
Rot. Bonds7

About 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 8552516) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID8552516
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CCN(C)Cc2cc(=O)n3c(C)cccc3n2)cc1OC
InChIInChI=1S/C21H25N3O3/c1-15-6-5-7-20-22-17(13-21(25)24(15)20)14-23(2)11-10-16-8-9-18(26-3)19(12-16)27-4/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyKSQPGGPPNNWGAK-UHFFFAOYSA-N
XLogP2.69
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[benzyl(methyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8541214
2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8709404
N-[(2,6-dichlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 1376281
5-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46382076
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine;hydrochloride
CID 3029793
2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine
CID 75431201
2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8710973
2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8720907
7-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 50802704
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
CID 71034554
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 8552516) is 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(CCN(C)Cc2cc(=O)n3c(C)cccc3n2)cc1OC.
What is the InChIKey of 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KSQPGGPPNNWGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-6-5-7-20-22-17(13-21(25)24(15)20)14-23(2)11-10-16-8-9-18(26-3)19(12-16)27-4/h5-9,12-13H,10-11,14H2,1-4H3.
What are the key properties of 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 367.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8552516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).