N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C11H22N6OS — CID 80919403

IUPACN-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1cc(NN)nc(SC)n1
InChIInChI=1S/C11H22N6OS/c1-17(6-7-18-2)5-4-13-9-8-10(16-12)15-11(14-9)19-3/h8H,4-7,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyBFHIECNOXCVIBY-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.47
Rot. Bonds9

About N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 80919403) has the molecular formula C11H22N6OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID80919403
Molecular FormulaC11H22N6OS
Molecular Weight286.40 g/mol
Exact Mass286.16
IUPAC NameN-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1cc(NN)nc(SC)n1
InChIInChI=1S/C11H22N6OS/c1-17(6-7-18-2)5-4-13-9-8-10(16-12)15-11(14-9)19-3/h8H,4-7,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyBFHIECNOXCVIBY-UHFFFAOYSA-N
XLogP0.47
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 80919403) is N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNc1cc(NN)nc(SC)n1.
What is the InChIKey of N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is BFHIECNOXCVIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6OS/c1-17(6-7-18-2)5-4-13-9-8-10(16-12)15-11(14-9)19-3/h8H,4-7,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 286.40 g/mol, XLogP of 0.47, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 80919403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).