3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol

C11H20N4O2S — CID 80890385

IUPAC3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
SMILESCCNc1nc(OCC)nc(SCC(C)CO)n1
InChIInChI=1S/C11H20N4O2S/c1-4-12-9-13-10(17-5-2)15-11(14-9)18-7-8(3)6-16/h8,16H,4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyXCOCJNPWQUIJMK-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.42
Rot. Bonds8

About 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol

3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol (PubChem CID 80890385) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
PubChem CID80890385
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
SMILESCCNc1nc(OCC)nc(SCC(C)CO)n1
InChIInChI=1S/C11H20N4O2S/c1-4-12-9-13-10(17-5-2)15-11(14-9)18-7-8(3)6-16/h8,16H,4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyXCOCJNPWQUIJMK-UHFFFAOYSA-N
XLogP1.42
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol with MolForge

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Related Compounds

3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 80928778
3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80891366
3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80890647
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80850512
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
CID 107765830
4-(2-bromophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80888661
4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80859393
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366495
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80891276
N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine
CID 118921040
1-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80826303

Frequently Asked Questions

What is the IUPAC name of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol (CID 80890385) is 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol is CCNc1nc(OCC)nc(SCC(C)CO)n1.
What is the InChIKey of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol?
The InChIKey is XCOCJNPWQUIJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-4-12-9-13-10(17-5-2)15-11(14-9)18-7-8(3)6-16/h8,16H,4-7H2,1-3H3,(H,12,13,14,15).
What are the key properties of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol?
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol has a molecular weight of 272.37 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 80890385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).