3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one

C15H11BrN2O — CID 102104430

IUPAC3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccccn2cc1Cc1ccccc1Br
InChIInChI=1S/C15H11BrN2O/c16-13-6-2-1-5-11(13)9-12-10-18-8-4-3-7-14(18)17-15(12)19/h1-8,10H,9H2
InChIKeyVMLMSYLGBHBVHZ-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.05
Rot. Bonds2

About 3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one

3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (PubChem CID 102104430) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
PubChem CID102104430
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccccn2cc1Cc1ccccc1Br
InChIInChI=1S/C15H11BrN2O/c16-13-6-2-1-5-11(13)9-12-10-18-8-4-3-7-14(18)17-15(12)19/h1-8,10H,9H2
InChIKeyVMLMSYLGBHBVHZ-UHFFFAOYSA-N
XLogP3.05
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-[(3,5,6-trichloro-2-pyridinyl)oxy]phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53308926
2-[(2-bromophenyl)methyl]-7-methylimidazo[1,2-a]pyridine
CID 117135086
2-[(2-bromophenyl)methyl]imidazo[1,2-a]pyridin-5-amine
CID 117132720
2-[(2-bromophenyl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117130489
2-[(2-bromophenyl)methyl]imidazo[1,2-a]pyridin-8-amine
CID 117137359
tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate
CID 45277867
5-bromo-4-hydroxy-2-imidazo[1,2-a]pyridin-2-yl-1H-pyrimidin-6-one
CID 66312695
2-fluoroimidazo[1,2-a]pyridine
CID 68592134
[2-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 60922596
2-imidazo[1,2-a]pyridin-2-ylethanamine
CID 7536516
2-[(2-bromophenyl)methoxy]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 32837124
3-benzyl-9-hydroxypyrido[1,2-a]pyrimidin-2-one
CID 102104425

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (CID 102104430) is 3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is O=c1nc2ccccn2cc1Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The InChIKey is VMLMSYLGBHBVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-13-6-2-1-5-11(13)9-12-10-18-8-4-3-7-14(18)17-15(12)19/h1-8,10H,9H2.
What are the key properties of 3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one has a molecular weight of 315.17 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 102104430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).