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

C11H21N5OS — CID 80890568

IUPAC3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
SMILESCCCNc1nc(SCCCO)nc(N(C)C)n1
InChIInChI=1S/C11H21N5OS/c1-4-6-12-9-13-10(16(2)3)15-11(14-9)18-8-5-7-17/h17H,4-8H2,1-3H3,(H,12,13,14,15)
InChIKeyLZKBCXOGDAXIJA-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.23
Rot. Bonds8

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

3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol (PubChem CID 80890568) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
PubChem CID80890568
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC Name3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
SMILESCCCNc1nc(SCCCO)nc(N(C)C)n1
InChIInChI=1S/C11H21N5OS/c1-4-6-12-9-13-10(16(2)3)15-11(14-9)18-8-5-7-17/h17H,4-8H2,1-3H3,(H,12,13,14,15)
InChIKeyLZKBCXOGDAXIJA-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-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol with MolForge

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Related Compounds

3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890214
2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80882836
6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80884317
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80867642
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890395
2-N,2-N,4-N-trimethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80887563
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80892759
6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855279
6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869964
5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106138250

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
The IUPAC name of 3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol (CID 80890568) is 3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
The canonical SMILES for 3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol is CCCNc1nc(SCCCO)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
The InChIKey is LZKBCXOGDAXIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-4-6-12-9-13-10(16(2)3)15-11(14-9)18-8-5-7-17/h17H,4-8H2,1-3H3,(H,12,13,14,15).
What are the key properties of 3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
3-[[4-(dimethylamino)-6-(propylamino)-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-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol is sourced from PubChem (CID 80890568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).