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

C20H22BrN3O — CID 9028174

IUPAC7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1ccc(CN(C)Cc2cc(=O)n3cc(Br)ccc3n2)cc1
InChIInChI=1S/C20H22BrN3O/c1-14(2)16-6-4-15(5-7-16)11-23(3)13-18-10-20(25)24-12-17(21)8-9-19(24)22-18/h4-10,12,14H,11,13H2,1-3H3
InChIKeyMVUDDDOIWVOIBI-UHFFFAOYSA-N
MW400.32 g/mol
LogP4.21
Rot. Bonds5

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

7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 9028174) has the molecular formula C20H22BrN3O and a molecular weight of 400.32 g/mol. Its IUPAC name is 7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID9028174
Molecular FormulaC20H22BrN3O
Molecular Weight400.32 g/mol
Exact Mass399.09
IUPAC Name7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1ccc(CN(C)Cc2cc(=O)n3cc(Br)ccc3n2)cc1
InChIInChI=1S/C20H22BrN3O/c1-14(2)16-6-4-15(5-7-16)11-23(3)13-18-10-20(25)24-12-17(21)8-9-19(24)22-18/h4-10,12,14H,11,13H2,1-3H3
InChIKeyMVUDDDOIWVOIBI-UHFFFAOYSA-N
XLogP4.21
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 18088063
7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17471416
3-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid
CID 60988188
7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8905082
7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8797101
7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 16769119
7-[[(4-bromophenyl)methyl-methylamino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 166376619
7-bromo-2-[[ethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60685461
7-chloro-2-[[3-hydroxybutyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 111496900
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-chlorophenyl)methyl]-methylazanium
CID 9040496
7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92784199
2-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 18088872

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 9028174) is 7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CC(C)c1ccc(CN(C)Cc2cc(=O)n3cc(Br)ccc3n2)cc1.
What is the InChIKey of 7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MVUDDDOIWVOIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O/c1-14(2)16-6-4-15(5-7-16)11-23(3)13-18-10-20(25)24-12-17(21)8-9-19(24)22-18/h4-10,12,14H,11,13H2,1-3H3.
What are the key properties of 7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 400.32 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9028174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).