6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine

C9H17N5S — CID 80895461

IUPAC6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCN(C)c1cc(NN)nc(SC)n1
InChIInChI=1S/C9H17N5S/c1-4-5-14(2)8-6-7(13-10)11-9(12-8)15-3/h6H,4-5,10H2,1-3H3,(H,11,12,13)
InChIKeyGUVPMXPACCMLCA-UHFFFAOYSA-N
MW227.34 g/mol
LogP1.33
Rot. Bonds5

About 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine

6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine (PubChem CID 80895461) has the molecular formula C9H17N5S and a molecular weight of 227.34 g/mol. Its IUPAC name is 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
PubChem CID80895461
Molecular FormulaC9H17N5S
Molecular Weight227.34 g/mol
Exact Mass227.12
IUPAC Name6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCN(C)c1cc(NN)nc(SC)n1
InChIInChI=1S/C9H17N5S/c1-4-5-14(2)8-6-7(13-10)11-9(12-8)15-3/h6H,4-5,10H2,1-3H3,(H,11,12,13)
InChIKeyGUVPMXPACCMLCA-UHFFFAOYSA-N
XLogP1.33
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
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-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine (CID 80895461) is 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine is CCCN(C)c1cc(NN)nc(SC)n1.
What is the InChIKey of 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is GUVPMXPACCMLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S/c1-4-5-14(2)8-6-7(13-10)11-9(12-8)15-3/h6H,4-5,10H2,1-3H3,(H,11,12,13).
What are the key properties of 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine?
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 227.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80895461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).