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

C9H17N5O3 — CID 80850764

IUPAC3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
SMILESCCOc1nc(NC)nc(NCC(O)CO)n1
InChIInChI=1S/C9H17N5O3/c1-3-17-9-13-7(10-2)12-8(14-9)11-4-6(16)5-15/h6,15-16H,3-5H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyZRYVRKMEGPOCDR-UHFFFAOYSA-N
MW243.27 g/mol
LogP-0.92
Rot. Bonds7

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

3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol (PubChem CID 80850764) has the molecular formula C9H17N5O3 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
PubChem CID80850764
Molecular FormulaC9H17N5O3
Molecular Weight243.27 g/mol
Exact Mass243.13
IUPAC Name3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
SMILESCCOc1nc(NC)nc(NCC(O)CO)n1
InChIInChI=1S/C9H17N5O3/c1-3-17-9-13-7(10-2)12-8(14-9)11-4-6(16)5-15/h6,15-16H,3-5H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyZRYVRKMEGPOCDR-UHFFFAOYSA-N
XLogP-0.92
TPSA112.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80850512
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80851247
3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366530
1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835942
4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149830
1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159577
3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106289027
N-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80787373
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol
CID 80812514
2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80812370
2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 80843434
2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 114154537

Frequently Asked Questions

What is the IUPAC name of 3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol (CID 80850764) is 3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol is CCOc1nc(NC)nc(NCC(O)CO)n1.
What is the InChIKey of 3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The InChIKey is ZRYVRKMEGPOCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3/c1-3-17-9-13-7(10-2)12-8(14-9)11-4-6(16)5-15/h6,15-16H,3-5H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol has a molecular weight of 243.27 g/mol, XLogP of -0.92, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol is sourced from PubChem (CID 80850764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).