3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one

C15H11BrN2O — CID 53310093

IUPAC3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccccn2cc1Cc1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O/c16-13-6-4-11(5-7-13)9-12-10-18-8-2-1-3-14(18)17-15(12)19/h1-8,10H,9H2
InChIKeyDICZNDUAPBJQGM-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.05
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one

3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (PubChem CID 53310093) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
PubChem CID53310093
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccccn2cc1Cc1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O/c16-13-6-4-11(5-7-13)9-12-10-18-8-2-1-3-14(18)17-15(12)19/h1-8,10H,9H2
InChIKeyDICZNDUAPBJQGM-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

7-Bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310095
2-amino-5-(4-bromophenyl)-7-imino-8-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135925123
3-Benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
CID 53309948
3-[(4-Fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53309949
3-Benzylpyrido[1,2-a]pyrimidin-2-one
CID 90666043
9-Amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
CID 90666160
(4-bromophenyl)-(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone
CID 42647065
(4-bromophenyl)-(3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone
CID 49797626
7-Bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310090
2-(4-Bromophenyl)pyrido[1,2-a]pyrimidin-4-one
CID 11666587
5-(3-Bromophenyl)-1-methylpyrimidin-4-one
CID 12284403
5-[(4-bromophenyl)methyl]-1H-pyrimidin-6-one
CID 19926845

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (CID 53310093) is 3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is O=c1nc2ccccn2cc1Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The InChIKey is DICZNDUAPBJQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-13-6-4-11(5-7-13)9-12-10-18-8-2-1-3-14(18)17-15(12)19/h1-8,10H,9H2.
What are the key properties of 3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
3-[(4-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-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 53310093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).