4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine

C8H14N4OS — CID 80885202

IUPAC4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(SC)n1
InChIInChI=1S/C8H14N4OS/c1-4-5-9-6-10-7(13-2)12-8(11-6)14-3/h4-5H2,1-3H3,(H,9,10,11,12)
InChIKeyVOXVFLHKZKXZOZ-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.42
Rot. Bonds5

About 4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine

4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80885202) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine
PubChem CID80885202
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(SC)n1
InChIInChI=1S/C8H14N4OS/c1-4-5-9-6-10-7(13-2)12-8(11-6)14-3/h4-5H2,1-3H3,(H,9,10,11,12)
InChIKeyVOXVFLHKZKXZOZ-UHFFFAOYSA-N
XLogP1.42
TPSA59.93 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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine (CID 80885202) is 4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(SC)n1.
What is the InChIKey of 4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is VOXVFLHKZKXZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-4-5-9-6-10-7(13-2)12-8(11-6)14-3/h4-5H2,1-3H3,(H,9,10,11,12).
What are the key properties of 4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine?
4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 214.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80885202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).