4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine

C11H20N4OS — CID 107765495

IUPAC4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(SC(C)C(C)C)n1
InChIInChI=1S/C11H20N4OS/c1-5-6-16-10-13-9(12)14-11(15-10)17-8(4)7(2)3/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyGHLSADMJSZIQSS-UHFFFAOYSA-N
MW256.38 g/mol
LogP2.38
Rot. Bonds6

About 4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine

4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 107765495) has the molecular formula C11H20N4OS and a molecular weight of 256.38 g/mol. Its IUPAC name is 4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID107765495
Molecular FormulaC11H20N4OS
Molecular Weight256.38 g/mol
Exact Mass256.14
IUPAC Name4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(SC(C)C(C)C)n1
InChIInChI=1S/C11H20N4OS/c1-5-6-16-10-13-9(12)14-11(15-10)17-8(4)7(2)3/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyGHLSADMJSZIQSS-UHFFFAOYSA-N
XLogP2.38
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

[4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 107766293
4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80858156
4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80872646
4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine
CID 80887131
4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine
CID 106451498
2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80775578
(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80849068
4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 80888591
4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887884
4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887985
(4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80923930
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine (CID 107765495) is 4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(SC(C)C(C)C)n1.
What is the InChIKey of 4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is GHLSADMJSZIQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-5-6-16-10-13-9(12)14-11(15-10)17-8(4)7(2)3/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine?
4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 256.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 107765495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).