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

C8H14N4OS — CID 107938607

IUPAC4-methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
SMILESCCCOCc1nc(N)nc(SC)n1
InChIInChI=1S/C8H14N4OS/c1-3-4-13-5-6-10-7(9)12-8(11-6)14-2/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyUZEJZMGELTYORL-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.10
Rot. Bonds5

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

4-methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 107938607) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
PubChem CID107938607
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name4-methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
SMILESCCCOCc1nc(N)nc(SC)n1
InChIInChI=1S/C8H14N4OS/c1-3-4-13-5-6-10-7(9)12-8(11-6)14-2/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyUZEJZMGELTYORL-UHFFFAOYSA-N
XLogP1.10
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103206957
4-Methoxymethyl-6-methylthio-2-amino-1,3,5-triazine
CID 22349738
2-(Methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine
CID 67234767
4-(3-Methoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 70618435
4-(2-Methoxypropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 103019727
2-[(4-Ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine
CID 14316663
4-Methyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
CID 63867427
4-(Ethoxymethyl)-6-ethyl-1,3,5-triazin-2-amine
CID 65669461
(4-Amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol
CID 83083879
4-(2-Methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083889
4-(1,4-Dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083991
4-(3-Ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084602

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine (CID 107938607) is 4-methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine is CCCOCc1nc(N)nc(SC)n1.
What is the InChIKey of 4-methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is UZEJZMGELTYORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-3-4-13-5-6-10-7(9)12-8(11-6)14-2/h3-5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 214.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 107938607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).