4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine

C11H18N4OS — CID 83085263

IUPAC4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CCC2CCCCO2)n1
InChIInChI=1S/C11H18N4OS/c1-17-11-14-9(13-10(12)15-11)6-5-8-4-2-3-7-16-8/h8H,2-7H2,1H3,(H2,12,13,14,15)
InChIKeyMDCGCSDJIQCCRL-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.68
Rot. Bonds4

About 4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine

4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 83085263) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID83085263
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CCC2CCCCO2)n1
InChIInChI=1S/C11H18N4OS/c1-17-11-14-9(13-10(12)15-11)6-5-8-4-2-3-7-16-8/h8H,2-7H2,1H3,(H2,12,13,14,15)
InChIKeyMDCGCSDJIQCCRL-UHFFFAOYSA-N
XLogP1.68
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(Oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681487
4-Methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine
CID 83083906
4-Methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 83084334
4-Methylsulfanyl-6-(oxan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 83084807
4-Methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 83085165
4-Chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 83240336
4-(3-Methoxybutyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 104160992
4-Methyl-6-(oxan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 104253634
4-Ethyl-6-(oxan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 104253638
4-(2-Ethyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 105736022
6-[2-(Oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 112681556
4-(Oxan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 113391772

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine (CID 83085263) is 4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine is CSc1nc(N)nc(CCC2CCCCO2)n1.
What is the InChIKey of 4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is MDCGCSDJIQCCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-17-11-14-9(13-10(12)15-11)6-5-8-4-2-3-7-16-8/h8H,2-7H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 254.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 83085263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).