2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one

C8H6BrN5O — CID 135480673

IUPAC2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one
SMILESNc1nc(-c2cnccn2)c(Br)c(=O)[nH]1
InChIInChI=1S/C8H6BrN5O/c9-5-6(4-3-11-1-2-12-4)13-8(10)14-7(5)15/h1-3H,(H3,10,13,14,15)
InChIKeyZEXWUBATIQVDKK-UHFFFAOYSA-N
MW268.07 g/mol
LogP0.57
Rot. Bonds1

About 2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one

2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one (PubChem CID 135480673) has the molecular formula C8H6BrN5O and a molecular weight of 268.07 g/mol. Its IUPAC name is 2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one
PubChem CID135480673
Molecular FormulaC8H6BrN5O
Molecular Weight268.07 g/mol
Exact Mass266.98
IUPAC Name2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one
SMILESNc1nc(-c2cnccn2)c(Br)c(=O)[nH]1
InChIInChI=1S/C8H6BrN5O/c9-5-6(4-3-11-1-2-12-4)13-8(10)14-7(5)15/h1-3H,(H3,10,13,14,15)
InChIKeyZEXWUBATIQVDKK-UHFFFAOYSA-N
XLogP0.57
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one (CID 135480673) is 2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one is Nc1nc(-c2cnccn2)c(Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZEXWUBATIQVDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN5O/c9-5-6(4-3-11-1-2-12-4)13-8(10)14-7(5)15/h1-3H,(H3,10,13,14,15).
What are the key properties of 2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one?
2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one has a molecular weight of 268.07 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-pyrazin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135480673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).