3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one

C8H6BrN3O — CID 83898748

IUPAC3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one
SMILESNc1cnc2ccc(Br)cn2c1=O
InChIInChI=1S/C8H6BrN3O/c9-5-1-2-7-11-3-6(10)8(13)12(7)4-5/h1-4H,10H2
InChIKeyUPFVFAJZDBRGNI-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.04
Rot. Bonds

About 3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one

3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one (PubChem CID 83898748) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one
PubChem CID83898748
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one
SMILESNc1cnc2ccc(Br)cn2c1=O
InChIInChI=1S/C8H6BrN3O/c9-5-1-2-7-11-3-6(10)8(13)12(7)4-5/h1-4H,10H2
InChIKeyUPFVFAJZDBRGNI-UHFFFAOYSA-N
XLogP1.04
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one
CID 84709899
7-bromo-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 83903186
methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 44783245
7-bromo-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 67888050
7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 86779478
7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 75416997
6-bromoimidazo[1,2-a]pyridine-3-sulfinate
CID 121342948
2-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 76849622
6-bromo-3-ethenylimidazo[1,2-a]pyridine
CID 177367415
2-amino-7-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898760
6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine
CID 92939351
(6-bromoimidazo[1,2-a]pyridin-3-yl)-(2,6-difluorophenyl)methanone
CID 146674136

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one (CID 83898748) is 3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one is Nc1cnc2ccc(Br)cn2c1=O.
What is the InChIKey of 3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UPFVFAJZDBRGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c9-5-1-2-7-11-3-6(10)8(13)12(7)4-5/h1-4H,10H2.
What are the key properties of 3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one?
3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one has a molecular weight of 240.06 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83898748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).