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

C15H12BrN3O — CID 90666160

IUPAC9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
SMILESNc1cc(Br)cn2cc(Cc3ccccc3)c(=O)nc12
InChIInChI=1S/C15H12BrN3O/c16-12-7-13(17)14-18-15(20)11(8-19(14)9-12)6-10-4-2-1-3-5-10/h1-5,7-9H,6,17H2
InChIKeyJPRMOZKIOREEDW-UHFFFAOYSA-N
MW330.19 g/mol
LogP2.63
Rot. Bonds2

About 9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one

9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one (PubChem CID 90666160) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
PubChem CID90666160
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
SMILESNc1cc(Br)cn2cc(Cc3ccccc3)c(=O)nc12
InChIInChI=1S/C15H12BrN3O/c16-12-7-13(17)14-18-15(20)11(8-19(14)9-12)6-10-4-2-1-3-5-10/h1-5,7-9H,6,17H2
InChIKeyJPRMOZKIOREEDW-UHFFFAOYSA-N
XLogP2.63
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one (CID 90666160) is 9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one is Nc1cc(Br)cn2cc(Cc3ccccc3)c(=O)nc12.
What is the InChIKey of 9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one?
The InChIKey is JPRMOZKIOREEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-12-7-13(17)14-18-15(20)11(8-19(14)9-12)6-10-4-2-1-3-5-10/h1-5,7-9H,6,17H2.
What are the key properties of 9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one?
9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one has a molecular weight of 330.19 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-3-benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 90666160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).