N'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine

C11H22N6S — CID 80910072

IUPACN'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCSc1nc(NN)cc(N(C)CCCN(C)C)n1
InChIInChI=1S/C11H22N6S/c1-16(2)6-5-7-17(3)10-8-9(15-12)13-11(14-10)18-4/h8H,5-7,12H2,1-4H3,(H,13,14,15)
InChIKeySTJWVBYITNAHPX-UHFFFAOYSA-N
MW270.41 g/mol
LogP0.87
Rot. Bonds7

About N'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine

N'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 80910072) has the molecular formula C11H22N6S and a molecular weight of 270.41 g/mol. Its IUPAC name is N'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID80910072
Molecular FormulaC11H22N6S
Molecular Weight270.41 g/mol
Exact Mass270.16
IUPAC NameN'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCSc1nc(NN)cc(N(C)CCCN(C)C)n1
InChIInChI=1S/C11H22N6S/c1-16(2)6-5-7-17(3)10-8-9(15-12)13-11(14-10)18-4/h8H,5-7,12H2,1-4H3,(H,13,14,15)
InChIKeySTJWVBYITNAHPX-UHFFFAOYSA-N
XLogP0.87
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine (CID 80910072) is N'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine is CSc1nc(NN)cc(N(C)CCCN(C)C)n1.
What is the InChIKey of N'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is STJWVBYITNAHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6S/c1-16(2)6-5-7-17(3)10-8-9(15-12)13-11(14-10)18-4/h8H,5-7,12H2,1-4H3,(H,13,14,15).
What are the key properties of N'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine?
N'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 270.41 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 80910072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).