3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline

C13H17N5OS — CID 80920296

IUPAC3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline
SMILESCSc1nc(NN)cc(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C13H17N5OS/c1-18(2)9-5-4-6-10(7-9)19-12-8-11(17-14)15-13(16-12)20-3/h4-8H,14H2,1-3H3,(H,15,16,17)
InChIKeyWJPAOEWZHDYLBG-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.34
Rot. Bonds5

About 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline

3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline (PubChem CID 80920296) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline
PubChem CID80920296
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline
SMILESCSc1nc(NN)cc(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C13H17N5OS/c1-18(2)9-5-4-6-10(7-9)19-12-8-11(17-14)15-13(16-12)20-3/h4-8H,14H2,1-3H3,(H,15,16,17)
InChIKeyWJPAOEWZHDYLBG-UHFFFAOYSA-N
XLogP2.34
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.34
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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Related Compounds

[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80921341
[2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine
CID 80920614
[6-(2,3-dihydro-1H-inden-5-yloxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80917282
[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910588
[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80915353
(6-methoxy-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80909923
[6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 81325647
[2-methylsulfanyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916728
[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80916805
[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80918206
6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine
CID 80941864
6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80962777

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
The IUPAC name of 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline (CID 80920296) is 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline.
What is the SMILES notation for 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
The canonical SMILES for 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline is CSc1nc(NN)cc(Oc2cccc(N(C)C)c2)n1.
What is the InChIKey of 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
The InChIKey is WJPAOEWZHDYLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-18(2)9-5-4-6-10(7-9)19-12-8-11(17-14)15-13(16-12)20-3/h4-8H,14H2,1-3H3,(H,15,16,17).
What are the key properties of 3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline has a molecular weight of 291.38 g/mol, XLogP of 2.34, 5 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-dimethylaniline is sourced from PubChem (CID 80920296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).