4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine

C9H16N4OS — CID 80887131

IUPAC4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(SC(C)CC)n1
InChIInChI=1S/C9H16N4OS/c1-4-6(3)15-9-12-7(10)11-8(13-9)14-5-2/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyIZTGBJNSWLHBAC-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.74
Rot. Bonds5

About 4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine

4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 80887131) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID80887131
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(SC(C)CC)n1
InChIInChI=1S/C9H16N4OS/c1-4-6(3)15-9-12-7(10)11-8(13-9)14-5-2/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyIZTGBJNSWLHBAC-UHFFFAOYSA-N
XLogP1.74
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine
CID 80867376
4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
CID 107765495
6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80832748
4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877469
4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine
CID 80884039
(4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80923930
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778446
4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887003
6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792073
4-butan-2-ylsulfanyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80887918
4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80893125
4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine
CID 80859204

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine (CID 80887131) is 4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(N)nc(SC(C)CC)n1.
What is the InChIKey of 4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is IZTGBJNSWLHBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-4-6(3)15-9-12-7(10)11-8(13-9)14-5-2/h6H,4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine?
4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 228.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).