1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine

C13H26N6S — CID 166450046

IUPAC1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine
SMILESCCCCCCCSc1nc(NNC)cc(NNC)n1
InChIInChI=1S/C13H26N6S/c1-4-5-6-7-8-9-20-13-16-11(18-14-2)10-12(17-13)19-15-3/h10,14-15H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyNIDNVVCTCYDQJV-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.63
Rot. Bonds11

About 1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine

1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine (PubChem CID 166450046) has the molecular formula C13H26N6S and a molecular weight of 298.46 g/mol. Its IUPAC name is 1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine.

Molecular Properties

Compound Name1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine
PubChem CID166450046
Molecular FormulaC13H26N6S
Molecular Weight298.46 g/mol
Exact Mass298.19
IUPAC Name1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine
SMILESCCCCCCCSc1nc(NNC)cc(NNC)n1
InChIInChI=1S/C13H26N6S/c1-4-5-6-7-8-9-20-13-16-11(18-14-2)10-12(17-13)19-15-3/h10,14-15H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyNIDNVVCTCYDQJV-UHFFFAOYSA-N
XLogP2.63
TPSA73.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine?
The IUPAC name of 1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine (CID 166450046) is 1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine.
What is the SMILES notation for 1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine?
The canonical SMILES for 1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine is CCCCCCCSc1nc(NNC)cc(NNC)n1.
What is the InChIKey of 1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine?
The InChIKey is NIDNVVCTCYDQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6S/c1-4-5-6-7-8-9-20-13-16-11(18-14-2)10-12(17-13)19-15-3/h10,14-15H,4-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine?
1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine has a molecular weight of 298.46 g/mol, XLogP of 2.63, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-heptylsulfanyl-6-(2-methylhydrazinyl)pyrimidin-4-yl]-2-methylhydrazine is sourced from PubChem (CID 166450046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).