3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol

C12H21N5O3 — CID 106103524

IUPAC3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol
SMILESCCOc1nc(NC)nc(NCC2(O)CCOC2C)n1
InChIInChI=1S/C12H21N5O3/c1-4-19-11-16-9(13-3)15-10(17-11)14-7-12(18)5-6-20-8(12)2/h8,18H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyJDLYUFFUIAJIFF-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.26
Rot. Bonds6

About 3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol

3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106103524) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol
PubChem CID106103524
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol
SMILESCCOc1nc(NC)nc(NCC2(O)CCOC2C)n1
InChIInChI=1S/C12H21N5O3/c1-4-19-11-16-9(13-3)15-10(17-11)14-7-12(18)5-6-20-8(12)2/h8,18H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyJDLYUFFUIAJIFF-UHFFFAOYSA-N
XLogP0.26
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol with MolForge

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Related Compounds

2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102448
[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol
CID 106301212
6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771271
2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143795
2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102253
1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842897
6-ethoxy-4-N-methyl-2-N-[(2-methylcyclohexyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80815043
6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107421220
6-ethoxy-4-N-methyl-2-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80812130
3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366530
1-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80909130
3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80850764

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol (CID 106103524) is 3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol is CCOc1nc(NC)nc(NCC2(O)CCOC2C)n1.
What is the InChIKey of 3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is JDLYUFFUIAJIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-4-19-11-16-9(13-3)15-10(17-11)14-7-12(18)5-6-20-8(12)2/h8,18H,4-7H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol?
3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 283.33 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 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]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106103524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).