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

C10H19N5O3 — CID 80850512

IUPAC3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
SMILESCCNc1nc(NCC(O)CO)nc(OCC)n1
InChIInChI=1S/C10H19N5O3/c1-3-11-8-13-9(12-5-7(17)6-16)15-10(14-8)18-4-2/h7,16-17H,3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyJMTYOQMLAPMUPC-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.53
Rot. Bonds8

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

3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol (PubChem CID 80850512) has the molecular formula C10H19N5O3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
PubChem CID80850512
Molecular FormulaC10H19N5O3
Molecular Weight257.29 g/mol
Exact Mass257.15
IUPAC Name3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
SMILESCCNc1nc(NCC(O)CO)nc(OCC)n1
InChIInChI=1S/C10H19N5O3/c1-3-11-8-13-9(12-5-7(17)6-16)15-10(14-8)18-4-2/h7,16-17H,3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyJMTYOQMLAPMUPC-UHFFFAOYSA-N
XLogP-0.53
TPSA112.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[[4-ethoxy-6-(ethylamino)-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
1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835670
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835942
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366495
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80890385
1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea
CID 71383356
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80788310
1-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80826303
4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80859393
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80770464
6-ethoxy-4-N-ethyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296113

Frequently Asked Questions

What is the IUPAC name of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol (CID 80850512) is 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol is CCNc1nc(NCC(O)CO)nc(OCC)n1.
What is the InChIKey of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The InChIKey is JMTYOQMLAPMUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3/c1-3-11-8-13-9(12-5-7(17)6-16)15-10(14-8)18-4-2/h7,16-17H,3-6H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol has a molecular weight of 257.29 g/mol, XLogP of -0.53, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol is sourced from PubChem (CID 80850512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).