4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine

C10H18N4O2S — CID 63966802

IUPAC4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCC(C)CSC)nc(OC)n1
InChIInChI=1S/C10H18N4O2S/c1-7(6-17-4)5-11-8-12-9(15-2)14-10(13-8)16-3/h7H,5-6H2,1-4H3,(H,11,12,13,14)
InChIKeyXWZXZOXJIPCPQH-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.30
Rot. Bonds7

About 4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine

4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine (PubChem CID 63966802) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine
PubChem CID63966802
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCC(C)CSC)nc(OC)n1
InChIInChI=1S/C10H18N4O2S/c1-7(6-17-4)5-11-8-12-9(15-2)14-10(13-8)16-3/h7H,5-6H2,1-4H3,(H,11,12,13,14)
InChIKeyXWZXZOXJIPCPQH-UHFFFAOYSA-N
XLogP1.30
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine (CID 63966802) is 4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine is COc1nc(NCC(C)CSC)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is XWZXZOXJIPCPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-7(6-17-4)5-11-8-12-9(15-2)14-10(13-8)16-3/h7H,5-6H2,1-4H3,(H,11,12,13,14).
What are the key properties of 4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 258.35 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63966802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).