4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile

C14H15N5OS — CID 80925312

IUPAC4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile
SMILESCSc1nc(NN)cc(Oc2c(C)cc(C#N)cc2C)n1
InChIInChI=1S/C14H15N5OS/c1-8-4-10(7-15)5-9(2)13(8)20-12-6-11(19-16)17-14(18-12)21-3/h4-6H,16H2,1-3H3,(H,17,18,19)
InChIKeyWPWJKGKJKUJALF-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.76
Rot. Bonds4

About 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile

4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile (PubChem CID 80925312) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile.

Molecular Properties

Compound Name4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile
PubChem CID80925312
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile
SMILESCSc1nc(NN)cc(Oc2c(C)cc(C#N)cc2C)n1
InChIInChI=1S/C14H15N5OS/c1-8-4-10(7-15)5-9(2)13(8)20-12-6-11(19-16)17-14(18-12)21-3/h4-6H,16H2,1-3H3,(H,17,18,19)
InChIKeyWPWJKGKJKUJALF-UHFFFAOYSA-N
XLogP2.76
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.76
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

[2-methylsulfanyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916728
(6-methoxy-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80909923
6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80863333
[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80918206
[6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80924928
[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80915353
[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910588
[6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 81325647
[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80921341
[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80916805
3-bromo-4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]benzonitrile
CID 107795536
[6-(2,3-dihydro-1H-inden-5-yloxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80917282

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile?
The IUPAC name of 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile (CID 80925312) is 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile.
What is the SMILES notation for 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile?
The canonical SMILES for 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile is CSc1nc(NN)cc(Oc2c(C)cc(C#N)cc2C)n1.
What is the InChIKey of 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile?
The InChIKey is WPWJKGKJKUJALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8-4-10(7-15)5-9(2)13(8)20-12-6-11(19-16)17-14(18-12)21-3/h4-6H,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile?
4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile has a molecular weight of 301.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile is sourced from PubChem (CID 80925312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).