6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

C5H9N5S — CID 80898707

IUPAC6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(NN)n1
InChIInChI=1S/C5H9N5S/c1-11-5-8-3(6)2-4(9-5)10-7/h2H,7H2,1H3,(H3,6,8,9,10)
InChIKeyFOERMFSZXUUMDN-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.07
Rot. Bonds2

About 6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80898707) has the molecular formula C5H9N5S and a molecular weight of 171.23 g/mol. Its IUPAC name is 6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80898707
Molecular FormulaC5H9N5S
Molecular Weight171.23 g/mol
Exact Mass171.06
IUPAC Name6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(NN)n1
InChIInChI=1S/C5H9N5S/c1-11-5-8-3(6)2-4(9-5)10-7/h2H,7H2,1H3,(H3,6,8,9,10)
InChIKeyFOERMFSZXUUMDN-UHFFFAOYSA-N
XLogP0.07
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.07
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 6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (CID 80898707) is 6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is CSc1nc(N)cc(NN)n1.
What is the InChIKey of 6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is FOERMFSZXUUMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5S/c1-11-5-8-3(6)2-4(9-5)10-7/h2H,7H2,1H3,(H3,6,8,9,10).
What are the key properties of 6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 171.23 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80898707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).