4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine

C9H16N4OS — CID 80888350

IUPAC4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(SC(C)(C)C)n1
InChIInChI=1S/C9H16N4OS/c1-9(2,3)15-8-12-6(10-4)11-7(13-8)14-5/h1-5H3,(H,10,11,12,13)
InChIKeyDAKDKYRHZHNIAW-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.81
Rot. Bonds3

About 4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine

4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80888350) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID80888350
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(SC(C)(C)C)n1
InChIInChI=1S/C9H16N4OS/c1-9(2,3)15-8-12-6(10-4)11-7(13-8)14-5/h1-5H3,(H,10,11,12,13)
InChIKeyDAKDKYRHZHNIAW-UHFFFAOYSA-N
XLogP1.81
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80887039
4-methoxy-N-methyl-6-propylsulfanyl-1,3,5-triazin-2-amine
CID 80886919
4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 80883876
4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine
CID 80883434
3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80891366
6-methoxy-4-N-methyl-2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 113479536
2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80840573
6-methoxy-2-N-(2-methoxy-2-methylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 104767298
6-methoxy-4-N-methyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174661
(4-tert-butylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80925733
4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 107784913
2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868576

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 80888350) is 4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine is CNc1nc(OC)nc(SC(C)(C)C)n1.
What is the InChIKey of 4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is DAKDKYRHZHNIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-9(2,3)15-8-12-6(10-4)11-7(13-8)14-5/h1-5H3,(H,10,11,12,13).
What are the key properties of 4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 228.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80888350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).