2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide

C8H12N4OS — CID 668161

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide
SMILESCc1cc(C)nc(SCC(=O)NN)n1
InChIInChI=1S/C8H12N4OS/c1-5-3-6(2)11-8(10-5)14-4-7(13)12-9/h3H,4,9H2,1-2H3,(H,12,13)
InChIKeyRLCZMVPGNOZVLO-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.18
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide

2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide (PubChem CID 668161) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide
PubChem CID668161
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide
SMILESCc1cc(C)nc(SCC(=O)NN)n1
InChIInChI=1S/C8H12N4OS/c1-5-3-6(2)11-8(10-5)14-4-7(13)12-9/h3H,4,9H2,1-2H3,(H,12,13)
InChIKeyRLCZMVPGNOZVLO-UHFFFAOYSA-N
XLogP0.18
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide (CID 668161) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide is Cc1cc(C)nc(SCC(=O)NN)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide?
The InChIKey is RLCZMVPGNOZVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-5-3-6(2)11-8(10-5)14-4-7(13)12-9/h3H,4,9H2,1-2H3,(H,12,13).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide has a molecular weight of 212.28 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide is sourced from PubChem (CID 668161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).