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

C9H16N4O2S — CID 80891366

IUPAC3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
SMILESCNc1nc(OC)nc(SCC(C)CO)n1
InChIInChI=1S/C9H16N4O2S/c1-6(4-14)5-16-9-12-7(10-2)11-8(13-9)15-3/h6,14H,4-5H2,1-3H3,(H,10,11,12,13)
InChIKeyRFPYYFYDJGEFNP-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.64
Rot. Bonds6

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

3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol (PubChem CID 80891366) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
PubChem CID80891366
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
SMILESCNc1nc(OC)nc(SCC(C)CO)n1
InChIInChI=1S/C9H16N4O2S/c1-6(4-14)5-16-9-12-7(10-2)11-8(13-9)15-3/h6,14H,4-5H2,1-3H3,(H,10,11,12,13)
InChIKeyRFPYYFYDJGEFNP-UHFFFAOYSA-N
XLogP0.64
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[4-methoxy-6-(methylamino)-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-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80890385
4-methoxy-N-methyl-6-propylsulfanyl-1,3,5-triazin-2-amine
CID 80886919
4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 80883876
2-methyl-3-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890917
4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80888350
4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine
CID 80883434
3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 66105828
4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
CID 107765701
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpropan-1-ol
CID 66105522
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 80890555
2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 114566873

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol (CID 80891366) is 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol is CNc1nc(OC)nc(SCC(C)CO)n1.
What is the InChIKey of 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol?
The InChIKey is RFPYYFYDJGEFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-6(4-14)5-16-9-12-7(10-2)11-8(13-9)15-3/h6,14H,4-5H2,1-3H3,(H,10,11,12,13).
What are the key properties of 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol?
3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol has a molecular weight of 244.32 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 80891366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).