4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C8H14N4OS — CID 103019727

IUPAC4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCOC(C)(C)c1nc(N)nc(SC)n1
InChIInChI=1S/C8H14N4OS/c1-8(2,13-3)5-10-6(9)12-7(11-5)14-4/h1-4H3,(H2,9,10,11,12)
InChIKeyYOPJAEICPKMLRL-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.06
Rot. Bonds3

About 4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 103019727) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID103019727
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCOC(C)(C)c1nc(N)nc(SC)n1
InChIInChI=1S/C8H14N4OS/c1-8(2,13-3)5-10-6(9)12-7(11-5)14-4/h1-4H3,(H2,9,10,11,12)
InChIKeyYOPJAEICPKMLRL-UHFFFAOYSA-N
XLogP1.06
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 103019727) is 4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is COC(C)(C)c1nc(N)nc(SC)n1.
What is the InChIKey of 4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is YOPJAEICPKMLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-8(2,13-3)5-10-6(9)12-7(11-5)14-4/h1-4H3,(H2,9,10,11,12).
What are the key properties of 4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 214.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 103019727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).