[2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine

C11H13BrN4S — CID 62252598

IUPAC[2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
SMILESCCc1c(C)nc(-c2ccc(Br)s2)nc1NN
InChIInChI=1S/C11H13BrN4S/c1-3-7-6(2)14-11(15-10(7)16-13)8-4-5-9(12)17-8/h4-5H,3,13H2,1-2H3,(H,14,15,16)
InChIKeyLMMOOCJJQRTMIF-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.12
Rot. Bonds3

About [2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine

[2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 62252598) has the molecular formula C11H13BrN4S and a molecular weight of 313.22 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
PubChem CID62252598
Molecular FormulaC11H13BrN4S
Molecular Weight313.22 g/mol
Exact Mass312.00
IUPAC Name[2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
SMILESCCc1c(C)nc(-c2ccc(Br)s2)nc1NN
InChIInChI=1S/C11H13BrN4S/c1-3-7-6(2)14-11(15-10(7)16-13)8-4-5-9(12)17-8/h4-5H,3,13H2,1-2H3,(H,14,15,16)
InChIKeyLMMOOCJJQRTMIF-UHFFFAOYSA-N
XLogP3.12
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.12
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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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine (CID 62252598) is [2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine is CCc1c(C)nc(-c2ccc(Br)s2)nc1NN.
What is the InChIKey of [2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is LMMOOCJJQRTMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4S/c1-3-7-6(2)14-11(15-10(7)16-13)8-4-5-9(12)17-8/h4-5H,3,13H2,1-2H3,(H,14,15,16).
What are the key properties of [2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
[2-(5-bromothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 313.22 g/mol, XLogP of 3.12, 3 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)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62252598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).