3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine

C8H11Br2N3O — CID 87370694

IUPAC3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine
SMILESCOCCN(C)c1ncc(Br)nc1Br
InChIInChI=1S/C8H11Br2N3O/c1-13(3-4-14-2)8-7(10)12-6(9)5-11-8/h5H,3-4H2,1-2H3
InChIKeyHUYRKVCXBBDLQR-UHFFFAOYSA-N
MW325.00 g/mol
LogP2.08
Rot. Bonds4

About 3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine

3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine (PubChem CID 87370694) has the molecular formula C8H11Br2N3O and a molecular weight of 325.00 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine
PubChem CID87370694
Molecular FormulaC8H11Br2N3O
Molecular Weight325.00 g/mol
Exact Mass322.93
IUPAC Name3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine
SMILESCOCCN(C)c1ncc(Br)nc1Br
InChIInChI=1S/C8H11Br2N3O/c1-13(3-4-14-2)8-7(10)12-6(9)5-11-8/h5H,3-4H2,1-2H3
InChIKeyHUYRKVCXBBDLQR-UHFFFAOYSA-N
XLogP2.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.00
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[Methyl(2-pyrazinyl)amino]-1-ethanol
CID 3614423
6-bromo-N2-(2-methoxyethyl)pyrazine-2,3-diamine
CID 15606121
4-(5-Bromo-6-chloropyrazin-2-yl)morpholine
CID 75481752
2-Morpholinopyrazine
CID 13098164
4-(6-Bromopyrazin-2-yl)morpholine
CID 45787515
N-(2-methoxyethyl)-N-(2-methylpropyl)pyrazin-2-amine
CID 17863082
3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine
CID 20855112
Trimethyl-(6-morpholin-4-ylpyrazin-2-yl)stannane
CID 164682206
2-Bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine
CID 130856869
3,5-dibromo-N,N-dimethylpyrazin-2-amine
CID 13098165
4-(3,5-Dibromo-2-pyrazinyl)morpholine
CID 13098166
5-Bromo-3-morpholinopyrazin-2-amine
CID 16740441

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine?
The IUPAC name of 3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine (CID 87370694) is 3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine?
The canonical SMILES for 3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine is COCCN(C)c1ncc(Br)nc1Br.
What is the InChIKey of 3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine?
The InChIKey is HUYRKVCXBBDLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br2N3O/c1-13(3-4-14-2)8-7(10)12-6(9)5-11-8/h5H,3-4H2,1-2H3.
What are the key properties of 3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine?
3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine has a molecular weight of 325.00 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 87370694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).