2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one

C8H6BrN3O — CID 83898761

IUPAC2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one
SMILESNc1cc(=O)n2ccc(Br)cc2n1
InChIInChI=1S/C8H6BrN3O/c9-5-1-2-12-7(3-5)11-6(10)4-8(12)13/h1-4H,10H2
InChIKeyYLESBIZUFSCKML-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.04
Rot. Bonds

About 2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one

2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one (PubChem CID 83898761) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one
PubChem CID83898761
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one
SMILESNc1cc(=O)n2ccc(Br)cc2n1
InChIInChI=1S/C8H6BrN3O/c9-5-1-2-12-7(3-5)11-6(10)4-8(12)13/h1-4H,10H2
InChIKeyYLESBIZUFSCKML-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

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Related Compounds

2-amino-7-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898760
2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115036986
8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 146050186
3-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxamide
CID 82530178
7-bromo-2-tert-butylimidazo[1,2-a]pyridin-3-amine
CID 82529962
2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 115015290
7-bromo-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 82529952
7-bromo-2,3-dimethylimidazo[1,2-a]pyridine;ethane
CID 143862133
8-bromopyrido[1,2-a][1,3,5]triazin-4-one
CID 84690290
4-bromopyridin-2-amine;8-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;ethyl 3-oxobutanoate;methane
CID 159697854
7-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carbaldehyde
CID 170900003
(7-bromo-3-methylimidazo[1,2-a]pyridin-2-yl)methanol
CID 115044017

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one (CID 83898761) is 2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one is Nc1cc(=O)n2ccc(Br)cc2n1.
What is the InChIKey of 2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YLESBIZUFSCKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c9-5-1-2-12-7(3-5)11-6(10)4-8(12)13/h1-4H,10H2.
What are the key properties of 2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one?
2-amino-8-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 2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83898761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).