7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H18BrN3O2 — CID 8797101

IUPAC7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(CCOc1ccccc1)Cc1cc(=O)n2cc(Br)ccc2n1
InChIInChI=1S/C18H18BrN3O2/c1-21(9-10-24-16-5-3-2-4-6-16)13-15-11-18(23)22-12-14(19)7-8-17(22)20-15/h2-8,11-12H,9-10,13H2,1H3
InChIKeyNSIBFVYYDZBGGH-UHFFFAOYSA-N
MW388.27 g/mol
LogP2.97
Rot. Bonds6

About 7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 8797101) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID8797101
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(CCOc1ccccc1)Cc1cc(=O)n2cc(Br)ccc2n1
InChIInChI=1S/C18H18BrN3O2/c1-21(9-10-24-16-5-3-2-4-6-16)13-15-11-18(23)22-12-14(19)7-8-17(22)20-15/h2-8,11-12H,9-10,13H2,1H3
InChIKeyNSIBFVYYDZBGGH-UHFFFAOYSA-N
XLogP2.97
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid
CID 60988188
7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18094800
7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17471416
7-bromo-2-[[ethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60685461
7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 16769119
7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2385146
2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 18088063
7-bromo-2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 115631705
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-methylphenoxy)acetate
CID 7853383
2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787966
7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one
CID 166370966
2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide
CID 9433131

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 8797101) is 7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN(CCOc1ccccc1)Cc1cc(=O)n2cc(Br)ccc2n1.
What is the InChIKey of 7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NSIBFVYYDZBGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-21(9-10-24-16-5-3-2-4-6-16)13-15-11-18(23)22-12-14(19)7-8-17(22)20-15/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of 7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 388.27 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8797101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).