(5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine

C7H12N4O2S — CID 174902540

IUPAC(5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine
SMILESCCc1cnc(S(C)(=O)=O)nc1NN
InChIInChI=1S/C7H12N4O2S/c1-3-5-4-9-7(14(2,12)13)10-6(5)11-8/h4H,3,8H2,1-2H3,(H,9,10,11)
InChIKeyAPANWLGWYXARRT-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.27
Rot. Bonds3

About (5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine

(5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine (PubChem CID 174902540) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is (5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine
PubChem CID174902540
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name(5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine
SMILESCCc1cnc(S(C)(=O)=O)nc1NN
InChIInChI=1S/C7H12N4O2S/c1-3-5-4-9-7(14(2,12)13)10-6(5)11-8/h4H,3,8H2,1-2H3,(H,9,10,11)
InChIKeyAPANWLGWYXARRT-UHFFFAOYSA-N
XLogP-0.27
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.27
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 (5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine?
The IUPAC name of (5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine (CID 174902540) is (5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine is CCc1cnc(S(C)(=O)=O)nc1NN.
What is the InChIKey of (5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine?
The InChIKey is APANWLGWYXARRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-3-5-4-9-7(14(2,12)13)10-6(5)11-8/h4H,3,8H2,1-2H3,(H,9,10,11).
What are the key properties of (5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine?
(5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine has a molecular weight of 216.27 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methylsulfonylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 174902540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).