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

C8H12N4OS — CID 83084829

IUPAC4-methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2CCCO2)n1
InChIInChI=1S/C8H12N4OS/c1-14-8-11-6(10-7(9)12-8)5-3-2-4-13-5/h5H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyWNSBJJHGNJRMIB-UHFFFAOYSA-N
MW212.28 g/mol
LogP1.03
Rot. Bonds2

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

4-methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 83084829) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
PubChem CID83084829
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name4-methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2CCCO2)n1
InChIInChI=1S/C8H12N4OS/c1-14-8-11-6(10-7(9)12-8)5-3-2-4-13-5/h5H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyWNSBJJHGNJRMIB-UHFFFAOYSA-N
XLogP1.03
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(tetrahydro-2-furanyl)-
CID 135627
4-Methyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
CID 65330153
4-Ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
CID 65330205
4-(Oxolan-2-yl)-6-propyl-1,3,5-triazin-2-amine
CID 65330206
4-(Oxolan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 65330207
4-Tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
CID 65330262
4-Methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine
CID 83083906
4-(2-Methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084108
4-Methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 83084334
4-(3-Methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084354
4-(5-Methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084610
4-Methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 83085165

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine (CID 83084829) is 4-methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(C2CCCO2)n1.
What is the InChIKey of 4-methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is WNSBJJHGNJRMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-14-8-11-6(10-7(9)12-8)5-3-2-4-13-5/h5H,2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 212.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).