3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol

C10H18N4O2S — CID 80890555

IUPAC3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C10H18N4O2S/c1-6(2)16-9-12-8(11)13-10(14-9)17-5-7(3)4-15/h6-7,15H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyQMQVSUDCFUKPOL-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.96
Rot. Bonds6

About 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol

3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol (PubChem CID 80890555) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
PubChem CID80890555
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C10H18N4O2S/c1-6(2)16-9-12-8(11)13-10(14-9)17-5-7(3)4-15/h6-7,15H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyQMQVSUDCFUKPOL-UHFFFAOYSA-N
XLogP0.96
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol
CID 80894662
4-benzylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887476
4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887289
3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 66105828
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpropan-1-ol
CID 66105522
4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872521
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
4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883341
2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855687
4-butyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106659288
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80890385

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol (CID 80890555) is 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol is CC(CO)CSc1nc(N)nc(OC(C)C)n1.
What is the InChIKey of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol?
The InChIKey is QMQVSUDCFUKPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-6(2)16-9-12-8(11)13-10(14-9)17-5-7(3)4-15/h6-7,15H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol?
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol has a molecular weight of 258.35 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 80890555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).