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

C13H24N4S — CID 107766364

IUPAC[5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)c(C)c(SCC(C)CC)n1
InChIInChI=1S/C13H24N4S/c1-5-7-11-15-12(17-14)10(4)13(16-11)18-8-9(3)6-2/h9H,5-8,14H2,1-4H3,(H,15,16,17)
InChIKeyNVKUQMZDWRMFNK-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.16
Rot. Bonds7

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

[5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine (PubChem CID 107766364) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is [5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
PubChem CID107766364
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name[5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)c(C)c(SCC(C)CC)n1
InChIInChI=1S/C13H24N4S/c1-5-7-11-15-12(17-14)10(4)13(16-11)18-8-9(3)6-2/h9H,5-8,14H2,1-4H3,(H,15,16,17)
InChIKeyNVKUQMZDWRMFNK-UHFFFAOYSA-N
XLogP3.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.16
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 [5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine (CID 107766364) is [5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine is CCCc1nc(NN)c(C)c(SCC(C)CC)n1.
What is the InChIKey of [5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine?
The InChIKey is NVKUQMZDWRMFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-5-7-11-15-12(17-14)10(4)13(16-11)18-8-9(3)6-2/h9H,5-8,14H2,1-4H3,(H,15,16,17).
What are the key properties of [5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine?
[5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine has a molecular weight of 268.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107766364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).