[2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine

C11H13BrN4S — CID 105260361

IUPAC[2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
SMILESCc1nccc(C(Cc2ccc(Br)s2)NN)n1
InChIInChI=1S/C11H13BrN4S/c1-7-14-5-4-9(15-7)10(16-13)6-8-2-3-11(12)17-8/h2-5,10,16H,6,13H2,1H3
InChIKeyYNPVVHYAYJOEBZ-UHFFFAOYSA-N
MW313.22 g/mol
LogP2.36
Rot. Bonds4

About [2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine

[2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine (PubChem CID 105260361) has the molecular formula C11H13BrN4S and a molecular weight of 313.22 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
PubChem CID105260361
Molecular FormulaC11H13BrN4S
Molecular Weight313.22 g/mol
Exact Mass312.00
IUPAC Name[2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
SMILESCc1nccc(C(Cc2ccc(Br)s2)NN)n1
InChIInChI=1S/C11H13BrN4S/c1-7-14-5-4-9(15-7)10(16-13)6-8-2-3-11(12)17-8/h2-5,10,16H,6,13H2,1H3
InChIKeyYNPVVHYAYJOEBZ-UHFFFAOYSA-N
XLogP2.36
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 52.36
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

2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530366
[1-(5-bromo-2-pyridinyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105267616
[1-(2-methylpyrimidin-4-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105260601
[2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260420
[2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]hydrazine
CID 105248249
[2-(5-bromothiophen-2-yl)-1-quinolin-8-ylethyl]hydrazine
CID 105295729
[2-(5-bromothiophen-2-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258015
[2-methoxy-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260599
[2-(5-bromothiophen-2-yl)-1-(4-tert-butylphenyl)ethyl]hydrazine
CID 105295802
[2-(5-bromothiophen-2-yl)-1-(4-ethylphenyl)ethyl]hydrazine
CID 105197265
[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260378
[2-(5-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191030

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine (CID 105260361) is [2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine is Cc1nccc(C(Cc2ccc(Br)s2)NN)n1.
What is the InChIKey of [2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine?
The InChIKey is YNPVVHYAYJOEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4S/c1-7-14-5-4-9(15-7)10(16-13)6-8-2-3-11(12)17-8/h2-5,10,16H,6,13H2,1H3.
What are the key properties of [2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine?
[2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine has a molecular weight of 313.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105260361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).