6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol

C13H26N6O — CID 107855279

IUPAC6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
SMILESCCNc1nc(NCCCCCCO)nc(N(C)C)n1
InChIInChI=1S/C13H26N6O/c1-4-14-11-16-12(18-13(17-11)19(2)3)15-9-7-5-6-8-10-20/h20H,4-10H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyLJLDNUIHLOKVLR-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.33
Rot. Bonds10

About 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol

6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol (PubChem CID 107855279) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
PubChem CID107855279
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
SMILESCCNc1nc(NCCCCCCO)nc(N(C)C)n1
InChIInChI=1S/C13H26N6O/c1-4-14-11-16-12(18-13(17-11)19(2)3)15-9-7-5-6-8-10-20/h20H,4-10H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyLJLDNUIHLOKVLR-UHFFFAOYSA-N
XLogP1.33
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol with MolForge

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Related Compounds

4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776969
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885
5-[[4,6-bis(5-hydroxypentylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 12010696
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45261594
6-(2,2-dimethylhydrazinyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83027111
4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 106846977
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780226
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol
CID 106179421
2-N,2-N,6-N-trimethyl-4-N-(7-methyloctyl)-1,3,5-triazine-2,4,6-triamine
CID 107818936

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol?
The IUPAC name of 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol (CID 107855279) is 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol?
The canonical SMILES for 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol is CCNc1nc(NCCCCCCO)nc(N(C)C)n1.
What is the InChIKey of 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol?
The InChIKey is LJLDNUIHLOKVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-4-14-11-16-12(18-13(17-11)19(2)3)15-9-7-5-6-8-10-20/h20H,4-10H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol?
6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol has a molecular weight of 282.39 g/mol, XLogP of 1.33, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol is sourced from PubChem (CID 107855279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).