2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one

C17H15BrClN3O — CID 18088063

IUPAC2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1ccc(Br)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C17H15BrClN3O/c1-21(9-12-2-4-13(18)5-3-12)11-15-8-17(23)22-10-14(19)6-7-16(22)20-15/h2-8,10H,9,11H2,1H3
InChIKeyCISNVLIWJSRUMY-UHFFFAOYSA-N
MW392.68 g/mol
LogP3.74
Rot. Bonds4

About 2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one

2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one (PubChem CID 18088063) has the molecular formula C17H15BrClN3O and a molecular weight of 392.68 g/mol. Its IUPAC name is 2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
PubChem CID18088063
Molecular FormulaC17H15BrClN3O
Molecular Weight392.68 g/mol
Exact Mass391.01
IUPAC Name2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1ccc(Br)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C17H15BrClN3O/c1-21(9-12-2-4-13(18)5-3-12)11-15-8-17(23)22-10-14(19)6-7-16(22)20-15/h2-8,10H,9,11H2,1H3
InChIKeyCISNVLIWJSRUMY-UHFFFAOYSA-N
XLogP3.74
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9028174
2-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 18088872
7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47026029
7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17471416
7-chloro-2-[[3-hydroxybutyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 111496900
7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 107203975
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
7-[[(4-bromophenyl)methyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 166376619
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434
3-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid
CID 60988188
N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide
CID 24681171
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one (CID 18088063) is 2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one is CN(Cc1ccc(Br)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of 2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CISNVLIWJSRUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O/c1-21(9-12-2-4-13(18)5-3-12)11-15-8-17(23)22-10-14(19)6-7-16(22)20-15/h2-8,10H,9,11H2,1H3.
What are the key properties of 2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one?
2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 392.68 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18088063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).