2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine

C10H7BrN6O — CID 24750821

IUPAC2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine
SMILESNc1nc(On2nnc3ccccc32)ncc1Br
InChIInChI=1S/C10H7BrN6O/c11-6-5-13-10(14-9(6)12)18-17-8-4-2-1-3-7(8)15-16-17/h1-5H,(H2,12,13,14)
InChIKeyWIZAILJCEICBCV-UHFFFAOYSA-N
MW307.11 g/mol
LogP1.41
Rot. Bonds2

About 2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine

2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine (PubChem CID 24750821) has the molecular formula C10H7BrN6O and a molecular weight of 307.11 g/mol. Its IUPAC name is 2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine.

Molecular Properties

Compound Name2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine
PubChem CID24750821
Molecular FormulaC10H7BrN6O
Molecular Weight307.11 g/mol
Exact Mass305.99
IUPAC Name2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine
SMILESNc1nc(On2nnc3ccccc32)ncc1Br
InChIInChI=1S/C10H7BrN6O/c11-6-5-13-10(14-9(6)12)18-17-8-4-2-1-3-7(8)15-16-17/h1-5H,(H2,12,13,14)
InChIKeyWIZAILJCEICBCV-UHFFFAOYSA-N
XLogP1.41
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.11
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole
CID 59246660
1-(4-methoxypyrimidin-2-yl)oxybenzotriazole
CID 67560438
methane;1-methoxybenzotriazole
CID 161160564
1-(2-bromo-4-pyrrolidin-1-ylphenoxy)benzotriazole
CID 130451226
1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine
CID 172600748
4-(benzotriazol-1-yl)-5-bromo-N-methylpyrimidin-2-amine
CID 80853309
[4-[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]-1-benzylcyclohexyl]carbamic acid
CID 66783196
1-[(4-bromophenyl)methoxy]benzotriazole
CID 2966833
3-(benzotriazol-1-yloxy)-2-methylpyrido[3,4-b]pyrazine
CID 71295237
2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 166507424
N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine
CID 159393127
1-[(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)oxy]benzotriazole;methane
CID 161461213

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine?
The IUPAC name of 2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine (CID 24750821) is 2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine.
What is the SMILES notation for 2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine?
The canonical SMILES for 2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine is Nc1nc(On2nnc3ccccc32)ncc1Br.
What is the InChIKey of 2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine?
The InChIKey is WIZAILJCEICBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN6O/c11-6-5-13-10(14-9(6)12)18-17-8-4-2-1-3-7(8)15-16-17/h1-5H,(H2,12,13,14).
What are the key properties of 2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine?
2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine has a molecular weight of 307.11 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine is sourced from PubChem (CID 24750821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).