2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol

C8H16N6O — CID 20707477

IUPAC2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCNCNc1nc(C)nc(NCCO)n1
InChIInChI=1S/C8H16N6O/c1-6-12-7(10-3-4-15)14-8(13-6)11-5-9-2/h9,15H,3-5H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyJWILRNNTLPBQCA-UHFFFAOYSA-N
MW212.26 g/mol
LogP-0.83
Rot. Bonds6

About 2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 20707477) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID20707477
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCNCNc1nc(C)nc(NCCO)n1
InChIInChI=1S/C8H16N6O/c1-6-12-7(10-3-4-15)14-8(13-6)11-5-9-2/h9,15H,3-5H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyJWILRNNTLPBQCA-UHFFFAOYSA-N
XLogP-0.83
TPSA94.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol with MolForge

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Related Compounds

2,2',2''-(1,3,5-Triazine-2,4,6-triyltriimino)trisethanol
CID 78114
4-Ethoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine
CID 21311
1,3,5-Triazin-2-amine, 4-butoxy-N-ethyl-6-methyl-
CID 21312
4-Ethoxy-N,6-diethyl-1,3,5-triazin-2-amine
CID 23295
2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-YL]amino}ethanol
CID 3138159
Ethanol, 2-((4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl)amino)-
CID 3041948
2-[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 21741836
[4,6-Bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol
CID 23198945
2-[[4-(2-Hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol
CID 22225
2-[4-Amino-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]ethanol
CID 90785234
1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxymethyl-N'-(1-methylethyl)-
CID 188779
2-[[4-(Cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
CID 3073351

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 20707477) is 2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol is CNCNc1nc(C)nc(NCCO)n1.
What is the InChIKey of 2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is JWILRNNTLPBQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c1-6-12-7(10-3-4-15)14-8(13-6)11-5-9-2/h9,15H,3-5H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 212.26 g/mol, XLogP of -0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 20707477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).