[6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine

C13H23N5S — CID 81007728

IUPAC[6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(N2CC(C)SC(C)C2)n1
InChIInChI=1S/C13H23N5S/c1-5-11-15-12(17-14)10(4)13(16-11)18-6-8(2)19-9(3)7-18/h8-9H,5-7,14H2,1-4H3,(H,15,16,17)
InChIKeyLXELEKSPSQXKOM-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.96
Rot. Bonds3

About [6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine

[6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 81007728) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is [6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
PubChem CID81007728
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name[6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(N2CC(C)SC(C)C2)n1
InChIInChI=1S/C13H23N5S/c1-5-11-15-12(17-14)10(4)13(16-11)18-6-8(2)19-9(3)7-18/h8-9H,5-7,14H2,1-4H3,(H,15,16,17)
InChIKeyLXELEKSPSQXKOM-UHFFFAOYSA-N
XLogP1.96
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.96
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-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine (CID 81007728) is [6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine is CCc1nc(NN)c(C)c(N2CC(C)SC(C)C2)n1.
What is the InChIKey of [6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is LXELEKSPSQXKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-5-11-15-12(17-14)10(4)13(16-11)18-6-8(2)19-9(3)7-18/h8-9H,5-7,14H2,1-4H3,(H,15,16,17).
What are the key properties of [6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
[6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 281.43 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81007728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).