7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C22H20BrN3O2 — CID 17471416

IUPAC7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc2cc(CN(C)Cc3cc(=O)n4cc(Br)ccc4n3)ccc2c1
InChIInChI=1S/C22H20BrN3O2/c1-25(12-15-3-4-17-10-20(28-2)7-5-16(17)9-15)14-19-11-22(27)26-13-18(23)6-8-21(26)24-19/h3-11,13H,12,14H2,1-2H3
InChIKeyPCACYGAXINZAQY-UHFFFAOYSA-N
MW438.33 g/mol
LogP4.25
Rot. Bonds5

About 7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 17471416) has the molecular formula C22H20BrN3O2 and a molecular weight of 438.33 g/mol. Its IUPAC name is 7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID17471416
Molecular FormulaC22H20BrN3O2
Molecular Weight438.33 g/mol
Exact Mass437.07
IUPAC Name7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc2cc(CN(C)Cc3cc(=O)n4cc(Br)ccc4n3)ccc2c1
InChIInChI=1S/C22H20BrN3O2/c1-25(12-15-3-4-17-10-20(28-2)7-5-16(17)9-15)14-19-11-22(27)26-13-18(23)6-8-21(26)24-19/h3-11,13H,12,14H2,1-2H3
InChIKeyPCACYGAXINZAQY-UHFFFAOYSA-N
XLogP4.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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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-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 18088063
7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8797101
3-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid
CID 60988188
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methoxyphenyl)acetate
CID 8011323
2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787966
7-[[(4-methoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458009
7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8905082
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-5-methoxybenzoate
CID 7429726
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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 17471416) is 7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is COc1ccc2cc(CN(C)Cc3cc(=O)n4cc(Br)ccc4n3)ccc2c1.
What is the InChIKey of 7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PCACYGAXINZAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O2/c1-25(12-15-3-4-17-10-20(28-2)7-5-16(17)9-15)14-19-11-22(27)26-13-18(23)6-8-21(26)24-19/h3-11,13H,12,14H2,1-2H3.
What are the key properties of 7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 438.33 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 17471416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).