1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol

C9H14BrN3O — CID 126979873

IUPAC1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1cnc(Br)cn1
InChIInChI=1S/C9H14BrN3O/c1-3-9(2,14)6-13-8-5-11-7(10)4-12-8/h4-5,14H,3,6H2,1-2H3,(H,12,13)
InChIKeyXAKRZLXOFXWBPT-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.81
Rot. Bonds4

About 1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol

1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol (PubChem CID 126979873) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol
PubChem CID126979873
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1cnc(Br)cn1
InChIInChI=1S/C9H14BrN3O/c1-3-9(2,14)6-13-8-5-11-7(10)4-12-8/h4-5,14H,3,6H2,1-2H3,(H,12,13)
InChIKeyXAKRZLXOFXWBPT-UHFFFAOYSA-N
XLogP1.81
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol (CID 126979873) is 1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol is CCC(C)(O)CNc1cnc(Br)cn1.
What is the InChIKey of 1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol?
The InChIKey is XAKRZLXOFXWBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-3-9(2,14)6-13-8-5-11-7(10)4-12-8/h4-5,14H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol?
1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol has a molecular weight of 260.13 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 126979873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).