[2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine

C12H22N4S — CID 107766327

IUPAC[2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(SCC(C)CC)n1
InChIInChI=1S/C12H22N4S/c1-5-8(3)7-17-12-9(4)11(16-13)14-10(6-2)15-12/h8H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyHRHVWQMITOOPQK-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.77
Rot. Bonds6

About [2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine

[2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine (PubChem CID 107766327) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is [2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine
PubChem CID107766327
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name[2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(SCC(C)CC)n1
InChIInChI=1S/C12H22N4S/c1-5-8(3)7-17-12-9(4)11(16-13)14-10(6-2)15-12/h8H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyHRHVWQMITOOPQK-UHFFFAOYSA-N
XLogP2.77
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.77
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-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine (CID 107766327) is [2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine is CCc1nc(NN)c(C)c(SCC(C)CC)n1.
What is the InChIKey of [2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine?
The InChIKey is HRHVWQMITOOPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-5-8(3)7-17-12-9(4)11(16-13)14-10(6-2)15-12/h8H,5-7,13H2,1-4H3,(H,14,15,16).
What are the key properties of [2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine?
[2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine has a molecular weight of 254.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107766327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).