3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol

C11H22N6O2 — CID 80851247

IUPAC3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
SMILESCCN(CC)c1nc(NC)nc(NCC(O)CO)n1
InChIInChI=1S/C11H22N6O2/c1-4-17(5-2)11-15-9(12-3)14-10(16-11)13-6-8(19)7-18/h8,18-19H,4-7H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyORLJJXGXUUTUIS-UHFFFAOYSA-N
MW270.34 g/mol
LogP-0.48
Rot. Bonds8

About 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol

3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol (PubChem CID 80851247) has the molecular formula C11H22N6O2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
PubChem CID80851247
Molecular FormulaC11H22N6O2
Molecular Weight270.34 g/mol
Exact Mass270.18
IUPAC Name3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
SMILESCCN(CC)c1nc(NC)nc(NCC(O)CO)n1
InChIInChI=1S/C11H22N6O2/c1-4-17(5-2)11-15-9(12-3)14-10(16-11)13-6-8(19)7-18/h8,18-19H,4-7H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyORLJJXGXUUTUIS-UHFFFAOYSA-N
XLogP-0.48
TPSA106.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol with MolForge

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Related Compounds

3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80850764
2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80783182
1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
CID 107159869
3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80921975
4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80768855
3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80841297
2-N,2-N-diethyl-4-N-(2-methoxyethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80766275
2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80833360
4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80825421
5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241626
2-N,2-N-diethyl-6-N-methyl-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80773355
4-N-(2-cyclopropylethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80847463

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol (CID 80851247) is 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol is CCN(CC)c1nc(NC)nc(NCC(O)CO)n1.
What is the InChIKey of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The InChIKey is ORLJJXGXUUTUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O2/c1-4-17(5-2)11-15-9(12-3)14-10(16-11)13-6-8(19)7-18/h8,18-19H,4-7H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol has a molecular weight of 270.34 g/mol, XLogP of -0.48, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol is sourced from PubChem (CID 80851247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).