5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine

C12H11BrN4O2 — CID 170960308

IUPAC5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine
SMILESCc1cccc([N+](=O)[O-])c1Nc1ncc(Br)nc1C
InChIInChI=1S/C12H11BrN4O2/c1-7-4-3-5-9(17(18)19)11(7)16-12-8(2)15-10(13)6-14-12/h3-6H,1-2H3,(H,14,16)
InChIKeyFNABADSARTYMBC-UHFFFAOYSA-N
MW323.15 g/mol
LogP3.51
Rot. Bonds3

About 5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine

5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine (PubChem CID 170960308) has the molecular formula C12H11BrN4O2 and a molecular weight of 323.15 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine
PubChem CID170960308
Molecular FormulaC12H11BrN4O2
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC Name5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine
SMILESCc1cccc([N+](=O)[O-])c1Nc1ncc(Br)nc1C
InChIInChI=1S/C12H11BrN4O2/c1-7-4-3-5-9(17(18)19)11(7)16-12-8(2)15-10(13)6-14-12/h3-6H,1-2H3,(H,14,16)
InChIKeyFNABADSARTYMBC-UHFFFAOYSA-N
XLogP3.51
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine
CID 134540277
N-bromo-2-methyl-6-nitroaniline
CID 140553007
[2-methyl-6-(2-methyl-6-nitroanilino)-5-nitropyrimidin-4-yl] 4-methylbenzenesulfonate
CID 101103564
N-(2-methyl-6-nitrophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 71296505
N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide
CID 103756213
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-6-nitroaniline
CID 115551379
1-(2-methyl-6-nitrophenyl)-3-phenylurea
CID 3703717
3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 23279474
1,2,4-trifluoro-5,8-dihydroxy-3-(2-methyl-6-nitroanilino)anthracene-9,10-dione
CID 18970575
N-(2,6-dimethylphenyl)nitramide
CID 13106750
2-ethyl-2-N-(2-methyl-6-nitrophenyl)butane-1,2-diamine
CID 115553875
6-(2-chloro-6-methylanilino)-5-nitropyridine-2-carboxylic acid
CID 114404275

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine (CID 170960308) is 5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine is Cc1cccc([N+](=O)[O-])c1Nc1ncc(Br)nc1C.
What is the InChIKey of 5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine?
The InChIKey is FNABADSARTYMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O2/c1-7-4-3-5-9(17(18)19)11(7)16-12-8(2)15-10(13)6-14-12/h3-6H,1-2H3,(H,14,16).
What are the key properties of 5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine?
5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine has a molecular weight of 323.15 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine is sourced from PubChem (CID 170960308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).