2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide

C11H17N5O2S — CID 3060315

IUPAC2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide
SMILESCc1cc(N2CCOCC2)nc(SCC(=O)NN)n1
InChIInChI=1S/C11H17N5O2S/c1-8-6-9(16-2-4-18-5-3-16)14-11(13-8)19-7-10(17)15-12/h6H,2-5,7,12H2,1H3,(H,15,17)
InChIKeyZJYXLPLSAZCAHV-UHFFFAOYSA-N
MW283.36 g/mol
LogP-0.30
Rot. Bonds4

About 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide

2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide (PubChem CID 3060315) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide
PubChem CID3060315
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide
SMILESCc1cc(N2CCOCC2)nc(SCC(=O)NN)n1
InChIInChI=1S/C11H17N5O2S/c1-8-6-9(16-2-4-18-5-3-16)14-11(13-8)19-7-10(17)15-12/h6H,2-5,7,12H2,1H3,(H,15,17)
InChIKeyZJYXLPLSAZCAHV-UHFFFAOYSA-N
XLogP-0.30
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide?
The IUPAC name of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide (CID 3060315) is 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide?
The canonical SMILES for 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide is Cc1cc(N2CCOCC2)nc(SCC(=O)NN)n1.
What is the InChIKey of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide?
The InChIKey is ZJYXLPLSAZCAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-8-6-9(16-2-4-18-5-3-16)14-11(13-8)19-7-10(17)15-12/h6H,2-5,7,12H2,1H3,(H,15,17).
What are the key properties of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide?
2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide has a molecular weight of 283.36 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetohydrazide is sourced from PubChem (CID 3060315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).