5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine

C9H13BrN4O — CID 71728537

IUPAC5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1NC1CCOCC1
InChIInChI=1S/C9H13BrN4O/c10-7-5-12-8(11)9(14-7)13-6-1-3-15-4-2-6/h5-6H,1-4H2,(H2,11,12)(H,13,14)
InChIKeyOOVFZWGQLBPUQT-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.41
Rot. Bonds2

About 5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine

5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine (PubChem CID 71728537) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine
PubChem CID71728537
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1NC1CCOCC1
InChIInChI=1S/C9H13BrN4O/c10-7-5-12-8(11)9(14-7)13-6-1-3-15-4-2-6/h5-6H,1-4H2,(H2,11,12)(H,13,14)
InChIKeyOOVFZWGQLBPUQT-UHFFFAOYSA-N
XLogP1.41
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine?
The IUPAC name of 5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine (CID 71728537) is 5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine.
What is the SMILES notation for 5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine?
The canonical SMILES for 5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine is Nc1ncc(Br)nc1NC1CCOCC1.
What is the InChIKey of 5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine?
The InChIKey is OOVFZWGQLBPUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c10-7-5-12-8(11)9(14-7)13-6-1-3-15-4-2-6/h5-6H,1-4H2,(H2,11,12)(H,13,14).
What are the key properties of 5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine?
5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine has a molecular weight of 273.13 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-N-(oxan-4-yl)pyrazine-2,3-diamine is sourced from PubChem (CID 71728537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).