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

C12H21N5O3 — CID 106301212

IUPAC[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol
SMILESCCOc1nc(NC)nc(NC2(CO)CCOCC2)n1
InChIInChI=1S/C12H21N5O3/c1-3-20-11-15-9(13-2)14-10(16-11)17-12(8-18)4-6-19-7-5-12/h18H,3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyHZTGFNKYRDYZCL-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.27
Rot. Bonds6

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

[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol (PubChem CID 106301212) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol
PubChem CID106301212
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol
SMILESCCOc1nc(NC)nc(NC2(CO)CCOCC2)n1
InChIInChI=1S/C12H21N5O3/c1-3-20-11-15-9(13-2)14-10(16-11)17-12(8-18)4-6-19-7-5-12/h18H,3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyHZTGFNKYRDYZCL-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol?
The IUPAC name of [4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol (CID 106301212) is [4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol is CCOc1nc(NC)nc(NC2(CO)CCOCC2)n1.
What is the InChIKey of [4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol?
The InChIKey is HZTGFNKYRDYZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-3-20-11-15-9(13-2)14-10(16-11)17-12(8-18)4-6-19-7-5-12/h18H,3-8H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of [4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol?
[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol has a molecular weight of 283.33 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]oxan-4-yl]methanol is sourced from PubChem (CID 106301212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).