6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine

C8H15N5OS — CID 80839887

IUPAC6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCCCSC)n1
InChIInChI=1S/C8H15N5OS/c1-14-8-12-6(9)11-7(13-8)10-4-3-5-15-2/h3-5H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyGFOOPWIWJSDLBJ-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.63
Rot. Bonds6

About 6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine

6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80839887) has the molecular formula C8H15N5OS and a molecular weight of 229.31 g/mol. Its IUPAC name is 6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID80839887
Molecular FormulaC8H15N5OS
Molecular Weight229.31 g/mol
Exact Mass229.10
IUPAC Name6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCCCSC)n1
InChIInChI=1S/C8H15N5OS/c1-14-8-12-6(9)11-7(13-8)10-4-3-5-15-2/h3-5H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyGFOOPWIWJSDLBJ-UHFFFAOYSA-N
XLogP0.63
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772368
N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787981
6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 130532691
2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80844381
3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 113411167
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 106842670
5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150060
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 114139975
6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80849425
2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80831552
6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80807450

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine (CID 80839887) is 6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NCCCSC)n1.
What is the InChIKey of 6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GFOOPWIWJSDLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5OS/c1-14-8-12-6(9)11-7(13-8)10-4-3-5-15-2/h3-5H2,1-2H3,(H3,9,10,11,12,13).
What are the key properties of 6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 229.31 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80839887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).