3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one

C15H11BrN2O — CID 53309948

IUPAC3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccc(Br)cn2cc1Cc1ccccc1
InChIInChI=1S/C15H11BrN2O/c16-13-6-7-14-17-15(19)12(9-18(14)10-13)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyFBAOLGMSJUZSNF-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.05
Rot. Bonds2

About 3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one

3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one (PubChem CID 53309948) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
PubChem CID53309948
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccc(Br)cn2cc1Cc1ccccc1
InChIInChI=1S/C15H11BrN2O/c16-13-6-7-14-17-15(19)12(9-18(14)10-13)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyFBAOLGMSJUZSNF-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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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one (CID 53309948) is 3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one is O=c1nc2ccc(Br)cn2cc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one?
The InChIKey is FBAOLGMSJUZSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-13-6-7-14-17-15(19)12(9-18(14)10-13)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2.
What are the key properties of 3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one?
3-benzyl-7-bromopyrido[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-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 53309948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).