5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine

C8H9BrN6O — CID 103098948

IUPAC5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine
SMILESCOc1cc(C)nc(-n2nc(N)nc2Br)n1
InChIInChI=1S/C8H9BrN6O/c1-4-3-5(16-2)12-8(11-4)15-6(9)13-7(10)14-15/h3H,1-2H3,(H2,10,14)
InChIKeyYQJBPLCLJPUJAQ-UHFFFAOYSA-N
MW285.11 g/mol
LogP0.72
Rot. Bonds2

About 5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine

5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine (PubChem CID 103098948) has the molecular formula C8H9BrN6O and a molecular weight of 285.11 g/mol. Its IUPAC name is 5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine
PubChem CID103098948
Molecular FormulaC8H9BrN6O
Molecular Weight285.11 g/mol
Exact Mass284.00
IUPAC Name5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine
SMILESCOc1cc(C)nc(-n2nc(N)nc2Br)n1
InChIInChI=1S/C8H9BrN6O/c1-4-3-5(16-2)12-8(11-4)15-6(9)13-7(10)14-15/h3H,1-2H3,(H2,10,14)
InChIKeyYQJBPLCLJPUJAQ-UHFFFAOYSA-N
XLogP0.72
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Epirizole
CID 3242
2-Hydrazinyl-4-methoxy-6-methylpyrimidine
CID 870741
2,4-Dimethoxy-6-methylpyrimidine
CID 269820
4-Methoxy-6-methylpyrimidin-2-amine
CID 587236
Pyrimidine, 4-methoxy-6-(5-methoxy-3-methylpyrazol-1-yl)-2-methyl-
CID 211219
7-Methoxy-5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 2801036
2-(3,5-Dimethylpyrazol-1-yl)-4-methoxy-6-methylpyrimidine
CID 3458206
2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-4,6-dimethylpyrimidine
CID 12771928
2-Amino-4-fluoromethyl-6-methoxypyrimidine
CID 20153497
7-Methoxy-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 130287500
1-[[Amino-(ethoxyamino)methylidene]amino]-2-[4-(difluoromethoxy)-6-methylpyrimidin-2-yl]-1-methoxyguanidine
CID 173409458
7-Methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 21241318

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine (CID 103098948) is 5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine is COc1cc(C)nc(-n2nc(N)nc2Br)n1.
What is the InChIKey of 5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine?
The InChIKey is YQJBPLCLJPUJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN6O/c1-4-3-5(16-2)12-8(11-4)15-6(9)13-7(10)14-15/h3H,1-2H3,(H2,10,14).
What are the key properties of 5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine?
5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine has a molecular weight of 285.11 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-methoxy-6-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 103098948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).