2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol

C6H9BrN4OS — CID 80921412

IUPAC2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol
SMILESNNc1ncc(Br)c(SCCO)n1
InChIInChI=1S/C6H9BrN4OS/c7-4-3-9-6(11-8)10-5(4)13-2-1-12/h3,12H,1-2,8H2,(H,9,10,11)
InChIKeyBLMKFFSPYORMEH-UHFFFAOYSA-N
MW265.14 g/mol
LogP0.61
Rot. Bonds4

About 2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol

2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol (PubChem CID 80921412) has the molecular formula C6H9BrN4OS and a molecular weight of 265.14 g/mol. Its IUPAC name is 2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol
PubChem CID80921412
Molecular FormulaC6H9BrN4OS
Molecular Weight265.14 g/mol
Exact Mass263.97
IUPAC Name2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol
SMILESNNc1ncc(Br)c(SCCO)n1
InChIInChI=1S/C6H9BrN4OS/c7-4-3-9-6(11-8)10-5(4)13-2-1-12/h3,12H,1-2,8H2,(H,9,10,11)
InChIKeyBLMKFFSPYORMEH-UHFFFAOYSA-N
XLogP0.61
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine
CID 80922146
(5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine
CID 80925442
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80898903
2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885145
2-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol
CID 80922325
2-[[2-[4-[[5-bromo-4-(2-hydroxyethylsulfanyl)pyrimidin-2-yl]amino]anilino]-5-fluoropyrimidin-4-yl]amino]ethanol
CID 143697315
(5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine
CID 80926989
[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80929377
[5-bromo-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931159
[5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922418
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366608
(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine
CID 80921912

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol (CID 80921412) is 2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol is NNc1ncc(Br)c(SCCO)n1.
What is the InChIKey of 2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol?
The InChIKey is BLMKFFSPYORMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4OS/c7-4-3-9-6(11-8)10-5(4)13-2-1-12/h3,12H,1-2,8H2,(H,9,10,11).
What are the key properties of 2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol?
2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol has a molecular weight of 265.14 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 80921412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).