(6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine

C5H7BrN4S — CID 15003624

IUPAC(6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1nc(Br)cc(NN)n1
InChIInChI=1S/C5H7BrN4S/c1-11-5-8-3(6)2-4(9-5)10-7/h2H,7H2,1H3,(H,8,9,10)
InChIKeyHJTQAJRNALYEMJ-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.25
Rot. Bonds2

About (6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine

(6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 15003624) has the molecular formula C5H7BrN4S and a molecular weight of 235.11 g/mol. Its IUPAC name is (6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID15003624
Molecular FormulaC5H7BrN4S
Molecular Weight235.11 g/mol
Exact Mass233.96
IUPAC Name(6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1nc(Br)cc(NN)n1
InChIInChI=1S/C5H7BrN4S/c1-11-5-8-3(6)2-4(9-5)10-7/h2H,7H2,1H3,(H,8,9,10)
InChIKeyHJTQAJRNALYEMJ-UHFFFAOYSA-N
XLogP1.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-Bromo-6-hydrazinylpyrimidine
CID 116473743
4-Fluoro-2-methylthio-6-hydrazinopyrimidine
CID 15003626
4-Chloro-6-hydrazinyl-2-(methylsulfanyl)pyrimidine
CID 1484546
2-[[6-[2-(Diaminomethylidene)hydrazinyl]-2-methylsulfanylpyrimidin-4-yl]amino]guanidine
CID 22086614
1-Amino-2-[6-[[amino(hydrazinyl)methylidene]amino]-2-methylsulfanylpyrimidin-4-yl]guanidine
CID 57031837
6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 59650283
1-Amino-1-[6-[amino(carbamimidoyl)amino]-2-methylsulfanylpyrimidin-4-yl]guanidine
CID 70154144
(6-Hydrazinyl-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 139976097
(2,6-Dibromopyrimidin-4-yl)hydrazine
CID 143514670
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80895461
6-Hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80898707
N'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 80910072

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine (CID 15003624) is (6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine is CSc1nc(Br)cc(NN)n1.
What is the InChIKey of (6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is HJTQAJRNALYEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4S/c1-11-5-8-3(6)2-4(9-5)10-7/h2H,7H2,1H3,(H,8,9,10).
What are the key properties of (6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine?
(6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 235.11 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-methylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 15003624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).