(2-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine

C11H22N6S — CID 166450020

IUPAC(2-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine
SMILESCCCCCCCSc1nc(NN)cc(NN)n1
InChIInChI=1S/C11H22N6S/c1-2-3-4-5-6-7-18-11-14-9(16-12)8-10(15-11)17-13/h8H,2-7,12-13H2,1H3,(H2,14,15,16,17)
InChIKeyPYMRUYRBXBSARI-UHFFFAOYSA-N
MW270.41 g/mol
LogP2.11
Rot. Bonds9

About (2-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine

(2-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine (PubChem CID 166450020) has the molecular formula C11H22N6S and a molecular weight of 270.41 g/mol. Its IUPAC name is (2-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine
PubChem CID166450020
Molecular FormulaC11H22N6S
Molecular Weight270.41 g/mol
Exact Mass270.16
IUPAC Name(2-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine
SMILESCCCCCCCSc1nc(NN)cc(NN)n1
InChIInChI=1S/C11H22N6S/c1-2-3-4-5-6-7-18-11-14-9(16-12)8-10(15-11)17-13/h8H,2-7,12-13H2,1H3,(H2,14,15,16,17)
InChIKeyPYMRUYRBXBSARI-UHFFFAOYSA-N
XLogP2.11
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine?
The IUPAC name of (2-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine (CID 166450020) is (2-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine is CCCCCCCSc1nc(NN)cc(NN)n1.
What is the InChIKey of (2-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine?
The InChIKey is PYMRUYRBXBSARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6S/c1-2-3-4-5-6-7-18-11-14-9(16-12)8-10(15-11)17-13/h8H,2-7,12-13H2,1H3,(H2,14,15,16,17).
What are the key properties of (2-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine?
(2-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine has a molecular weight of 270.41 g/mol, XLogP of 2.11, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptylsulfanyl-6-hydrazinylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 166450020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).