3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine

C12H12BrN3O2 — CID 112559128

IUPAC3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Br)c(-c2nccnc2N)cc1OC
InChIInChI=1S/C12H12BrN3O2/c1-17-9-5-7(8(13)6-10(9)18-2)11-12(14)16-4-3-15-11/h3-6H,1-2H3,(H2,14,16)
InChIKeyHTHFZSVYSWKUIA-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.51
Rot. Bonds3

About 3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine

3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine (PubChem CID 112559128) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine
PubChem CID112559128
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Br)c(-c2nccnc2N)cc1OC
InChIInChI=1S/C12H12BrN3O2/c1-17-9-5-7(8(13)6-10(9)18-2)11-12(14)16-4-3-15-11/h3-6H,1-2H3,(H2,14,16)
InChIKeyHTHFZSVYSWKUIA-UHFFFAOYSA-N
XLogP2.51
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine
CID 112559163
3,4-bis(2-bromo-4,5-dimethoxyphenyl)-1-methylpyrazole
CID 10553787
4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine
CID 42639134
3-bromo-5-methoxy-6-methylpyridin-2-amine
CID 130133402
2,4-diamino-6-(2-bromo-5-methoxy-4-propoxyphenyl)pyrimidine-5-carbonitrile
CID 169397760
4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole
CID 10767664
5-bromo-6-fluoro-3-methoxypyridin-2-amine
CID 135201063
5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine
CID 86000885
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine
CID 79403787
4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine
CID 117106715
5-(4-bromo-2,5-dimethoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3589215

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine (CID 112559128) is 3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine is COc1cc(Br)c(-c2nccnc2N)cc1OC.
What is the InChIKey of 3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine?
The InChIKey is HTHFZSVYSWKUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-17-9-5-7(8(13)6-10(9)18-2)11-12(14)16-4-3-15-11/h3-6H,1-2H3,(H2,14,16).
What are the key properties of 3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine?
3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine has a molecular weight of 310.15 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 112559128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).