5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine

C8H11BrClN3O — CID 87824470

IUPAC5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine
SMILESCC[C@@H](Nc1cnc(Br)c(Cl)n1)OC
InChIInChI=1S/C8H11BrClN3O/c1-3-6(14-2)12-5-4-11-7(9)8(10)13-5/h4,6H,3H2,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyAQHZALALUMZQDY-LURJTMIESA-N
MW280.55 g/mol
LogP2.69
Rot. Bonds4

About 5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine

5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine (PubChem CID 87824470) has the molecular formula C8H11BrClN3O and a molecular weight of 280.55 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine
PubChem CID87824470
Molecular FormulaC8H11BrClN3O
Molecular Weight280.55 g/mol
Exact Mass278.98
IUPAC Name5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine
SMILESCC[C@@H](Nc1cnc(Br)c(Cl)n1)OC
InChIInChI=1S/C8H11BrClN3O/c1-3-6(14-2)12-5-4-11-7(9)8(10)13-5/h4,6H,3H2,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyAQHZALALUMZQDY-LURJTMIESA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine?
The IUPAC name of 5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine (CID 87824470) is 5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine?
The canonical SMILES for 5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine is CC[C@@H](Nc1cnc(Br)c(Cl)n1)OC.
What is the InChIKey of 5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine?
The InChIKey is AQHZALALUMZQDY-LURJTMIESA-N. The full InChI is InChI=1S/C8H11BrClN3O/c1-3-6(14-2)12-5-4-11-7(9)8(10)13-5/h4,6H,3H2,1-2H3,(H,12,13)/t6-/m0/s1.
What are the key properties of 5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine?
5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine has a molecular weight of 280.55 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-[(1S)-1-methoxypropyl]pyrazin-2-amine is sourced from PubChem (CID 87824470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).