2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

C19H21BrN3O2+ — CID 8675842

IUPAC2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCc1cccc2nc(C[NH+](C)CCOc3ccc(Br)cc3)cc(=O)n12
InChIInChI=1S/C19H20BrN3O2/c1-14-4-3-5-18-21-16(12-19(24)23(14)18)13-22(2)10-11-25-17-8-6-15(20)7-9-17/h3-9,12H,10-11,13H2,1-2H3/p+1
InChIKeyQHTJHMNKFRZOKA-UHFFFAOYSA-O
MW403.30 g/mol
LogP1.86
Rot. Bonds6

About 2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (PubChem CID 8675842) has the molecular formula C19H21BrN3O2+ and a molecular weight of 403.30 g/mol. Its IUPAC name is 2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.

Molecular Properties

Compound Name2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
PubChem CID8675842
Molecular FormulaC19H21BrN3O2+
Molecular Weight403.30 g/mol
Exact Mass402.08
IUPAC Name2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCc1cccc2nc(C[NH+](C)CCOc3ccc(Br)cc3)cc(=O)n12
InChIInChI=1S/C19H20BrN3O2/c1-14-4-3-5-18-21-16(12-19(24)23(14)18)13-22(2)10-11-25-17-8-6-15(20)7-9-17/h3-9,12H,10-11,13H2,1-2H3/p+1
InChIKeyQHTJHMNKFRZOKA-UHFFFAOYSA-O
XLogP1.86
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium with MolForge

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Related Compounds

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium
CID 8800677
2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9259386
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 9254821
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 9255085
2-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 55476712
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
1-[2-(4-bromophenoxy)ethyl]-6-methylpyridin-2-one
CID 54970701
6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47008628
[2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium
CID 8678751
6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 126817460
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-bromophenyl)methoxy]benzoate
CID 43023310
cyclohexyl-[(4-fluorophenyl)methyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8710972

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The IUPAC name of 2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (CID 8675842) is 2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.
What is the SMILES notation for 2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The canonical SMILES for 2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is Cc1cccc2nc(C[NH+](C)CCOc3ccc(Br)cc3)cc(=O)n12.
What is the InChIKey of 2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The InChIKey is QHTJHMNKFRZOKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20BrN3O2/c1-14-4-3-5-18-21-16(12-19(24)23(14)18)13-22(2)10-11-25-17-8-6-15(20)7-9-17/h3-9,12H,10-11,13H2,1-2H3/p+1.
What are the key properties of 2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium has a molecular weight of 403.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is sourced from PubChem (CID 8675842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).