3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol

C11H21N5OS — CID 80890395

IUPAC3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
SMILESCCN(CC)c1nc(NC)nc(SCCCO)n1
InChIInChI=1S/C11H21N5OS/c1-4-16(5-2)10-13-9(12-3)14-11(15-10)18-8-6-7-17/h17H,4-8H2,1-3H3,(H,12,13,14,15)
InChIKeyYCFJWQWEWAIHLX-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.23
Rot. Bonds8

About 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol

3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol (PubChem CID 80890395) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
PubChem CID80890395
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC Name3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
SMILESCCN(CC)c1nc(NC)nc(SCCCO)n1
InChIInChI=1S/C11H21N5OS/c1-4-16(5-2)10-13-9(12-3)14-11(15-10)18-8-6-7-17/h17H,4-8H2,1-3H3,(H,12,13,14,15)
InChIKeyYCFJWQWEWAIHLX-UHFFFAOYSA-N
XLogP1.23
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol 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

3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890214
6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80884317
3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890568
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80867459
2-N,2-N,4-N-trimethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80887563
2-N,2-N-diethyl-4-N-methyl-6-pyridin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80882962
2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80883010
4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80768855
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80851247
6-[(3-bromo-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80887782
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 114235285
6-[6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]disulfanyl]hexyldisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 110191274

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
The IUPAC name of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol (CID 80890395) is 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol.
What is the SMILES notation for 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
The canonical SMILES for 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol is CCN(CC)c1nc(NC)nc(SCCCO)n1.
What is the InChIKey of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
The InChIKey is YCFJWQWEWAIHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-4-16(5-2)10-13-9(12-3)14-11(15-10)18-8-6-7-17/h17H,4-8H2,1-3H3,(H,12,13,14,15).
What are the key properties of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol has a molecular weight of 271.39 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol is sourced from PubChem (CID 80890395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).