2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide

C12H19N5OS — CID 3060284

IUPAC2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide
SMILESCc1cc(N2CCCCC2)nc(SCC(=O)NN)n1
InChIInChI=1S/C12H19N5OS/c1-9-7-10(17-5-3-2-4-6-17)15-12(14-9)19-8-11(18)16-13/h7H,2-6,8,13H2,1H3,(H,16,18)
InChIKeyBGQDRVAAXQWHGW-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.86
Rot. Bonds4

About 2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide

2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide (PubChem CID 3060284) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide
PubChem CID3060284
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC Name2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide
SMILESCc1cc(N2CCCCC2)nc(SCC(=O)NN)n1
InChIInChI=1S/C12H19N5OS/c1-9-7-10(17-5-3-2-4-6-17)15-12(14-9)19-8-11(18)16-13/h7H,2-6,8,13H2,1H3,(H,16,18)
InChIKeyBGQDRVAAXQWHGW-UHFFFAOYSA-N
XLogP0.86
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide?
The IUPAC name of 2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide (CID 3060284) is 2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide?
The canonical SMILES for 2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide is Cc1cc(N2CCCCC2)nc(SCC(=O)NN)n1.
What is the InChIKey of 2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide?
The InChIKey is BGQDRVAAXQWHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-9-7-10(17-5-3-2-4-6-17)15-12(14-9)19-8-11(18)16-13/h7H,2-6,8,13H2,1H3,(H,16,18).
What are the key properties of 2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide?
2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide has a molecular weight of 281.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetohydrazide is sourced from PubChem (CID 3060284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).