4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine

C13H24N4OS — CID 80887530

IUPAC4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCCC)nc(SC(C)CC)n1
InChIInChI=1S/C13H24N4OS/c1-5-8-14-11-15-12(18-9-6-2)17-13(16-11)19-10(4)7-3/h10H,5-9H2,1-4H3,(H,14,15,16,17)
InChIKeyBNUNYSLQOHSFQB-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.37
Rot. Bonds9

About 4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine

4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80887530) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80887530
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCCC)nc(SC(C)CC)n1
InChIInChI=1S/C13H24N4OS/c1-5-8-14-11-15-12(18-9-6-2)17-13(16-11)19-10(4)7-3/h10H,5-9H2,1-4H3,(H,14,15,16,17)
InChIKeyBNUNYSLQOHSFQB-UHFFFAOYSA-N
XLogP3.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80923930
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
2-N-(3,3-dimethylbutan-2-yl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 104830619
2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773091
4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80871739
3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 83180143
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
[4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 107766293
2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80781052
4-butan-2-ylsulfanyl-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887639
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80876867

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine (CID 80887530) is 4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OCCC)nc(SC(C)CC)n1.
What is the InChIKey of 4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is BNUNYSLQOHSFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-5-8-14-11-15-12(18-9-6-2)17-13(16-11)19-10(4)7-3/h10H,5-9H2,1-4H3,(H,14,15,16,17).
What are the key properties of 4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 284.43 g/mol, XLogP of 3.37, 9 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-propoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).