[5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine

C8H9BrN6S — CID 80922418

IUPAC[5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCn1ccnc1Sc1nc(NN)ncc1Br
InChIInChI=1S/C8H9BrN6S/c1-15-3-2-11-8(15)16-6-5(9)4-12-7(13-6)14-10/h2-4H,10H2,1H3,(H,12,13,14)
InChIKeyGKZRETGQQXXLQN-UHFFFAOYSA-N
MW301.17 g/mol
LogP1.41
Rot. Bonds3

About [5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine

[5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine (PubChem CID 80922418) has the molecular formula C8H9BrN6S and a molecular weight of 301.17 g/mol. Its IUPAC name is [5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine
PubChem CID80922418
Molecular FormulaC8H9BrN6S
Molecular Weight301.17 g/mol
Exact Mass299.98
IUPAC Name[5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCn1ccnc1Sc1nc(NN)ncc1Br
InChIInChI=1S/C8H9BrN6S/c1-15-3-2-11-8(15)16-6-5(9)4-12-7(13-6)14-10/h2-4H,10H2,1H3,(H,12,13,14)
InChIKeyGKZRETGQQXXLQN-UHFFFAOYSA-N
XLogP1.41
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
CID 80886821
(5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine
CID 80925442
(5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine
CID 80926989
[5-bromo-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931159
[5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine
CID 80922146
[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80929377
5-bromo-N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882687
2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol
CID 80921412
[4-(1-methylimidazol-2-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80922420
5-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 113432001
2-methyl-4-(1-methylimidazol-2-yl)sulfanylaniline
CID 43436429
[2-bromo-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 107280501

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine (CID 80922418) is [5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine is Cn1ccnc1Sc1nc(NN)ncc1Br.
What is the InChIKey of [5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine?
The InChIKey is GKZRETGQQXXLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN6S/c1-15-3-2-11-8(15)16-6-5(9)4-12-7(13-6)14-10/h2-4H,10H2,1H3,(H,12,13,14).
What are the key properties of [5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine?
[5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine has a molecular weight of 301.17 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80922418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).