4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine

C6H10N4OS — CID 13388288

IUPAC4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(CSC)n1
InChIInChI=1S/C6H10N4OS/c1-11-6-9-4(3-12-2)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)
InChIKeyJVGAHJSTVPKVDQ-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.33
Rot. Bonds3

About 4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine

4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine (PubChem CID 13388288) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
PubChem CID13388288
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(CSC)n1
InChIInChI=1S/C6H10N4OS/c1-11-6-9-4(3-12-2)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)
InChIKeyJVGAHJSTVPKVDQ-UHFFFAOYSA-N
XLogP0.33
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine (CID 13388288) is 4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine is COc1nc(N)nc(CSC)n1.
What is the InChIKey of 4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is JVGAHJSTVPKVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-11-6-9-4(3-12-2)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10).
What are the key properties of 4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine?
4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 186.24 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 13388288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).