2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C11H22N6 — CID 82949550

IUPAC2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCc1c(NN)ncnc1NC(C)CN(C)C
InChIInChI=1S/C11H22N6/c1-5-9-10(13-7-14-11(9)16-12)15-8(2)6-17(3)4/h7-8H,5-6,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyWMDFJSXQIPOOSK-UHFFFAOYSA-N
MW238.34 g/mol
LogP0.69
Rot. Bonds6

About 2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82949550) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82949550
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCc1c(NN)ncnc1NC(C)CN(C)C
InChIInChI=1S/C11H22N6/c1-5-9-10(13-7-14-11(9)16-12)15-8(2)6-17(3)4/h7-8H,5-6,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyWMDFJSXQIPOOSK-UHFFFAOYSA-N
XLogP0.69
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 82949550) is 2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine is CCc1c(NN)ncnc1NC(C)CN(C)C.
What is the InChIKey of 2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is WMDFJSXQIPOOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-5-9-10(13-7-14-11(9)16-12)15-8(2)6-17(3)4/h7-8H,5-6,12H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 238.34 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82949550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).