3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine

C10H19N5OS — CID 80920197

IUPAC3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine
SMILESCSc1nc(NN)cc(OCCCN(C)C)n1
InChIInChI=1S/C10H19N5OS/c1-15(2)5-4-6-16-9-7-8(14-11)12-10(13-9)17-3/h7H,4-6,11H2,1-3H3,(H,12,13,14)
InChIKeyBNNWBGDMTZUSLD-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.81
Rot. Bonds7

About 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine

3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine (PubChem CID 80920197) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine
PubChem CID80920197
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine
SMILESCSc1nc(NN)cc(OCCCN(C)C)n1
InChIInChI=1S/C10H19N5OS/c1-15(2)5-4-6-16-9-7-8(14-11)12-10(13-9)17-3/h7H,4-6,11H2,1-3H3,(H,12,13,14)
InChIKeyBNNWBGDMTZUSLD-UHFFFAOYSA-N
XLogP0.81
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
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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Related Compounds

(6-methoxy-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80909923
[6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80924928
[2-methylsulfanyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine
CID 80913891
2-(6-hydrazinyl-2-propylpyrimidin-4-yl)oxy-N,N-dimethylethanamine
CID 80947210
[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80918206
6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 115505931
N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine
CID 80865847
N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80919403
[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80916805
3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920296
6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 103408460
[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80915353

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine (CID 80920197) is 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine is CSc1nc(NN)cc(OCCCN(C)C)n1.
What is the InChIKey of 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine?
The InChIKey is BNNWBGDMTZUSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-15(2)5-4-6-16-9-7-8(14-11)12-10(13-9)17-3/h7H,4-6,11H2,1-3H3,(H,12,13,14).
What are the key properties of 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine?
3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine has a molecular weight of 257.36 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 80920197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).