(4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate

C13H21N3O4 — CID 11254589

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate
SMILESCCCC[C@H](CC)C(=O)Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C13H21N3O4/c1-5-7-8-9(6-2)10(17)20-13-15-11(18-3)14-12(16-13)19-4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyZDZZSNBYCQWHOC-VIFPVBQESA-N
MW283.33 g/mol
LogP2.01
Rot. Bonds8

About (4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate

(4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate (PubChem CID 11254589) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate
PubChem CID11254589
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate
SMILESCCCC[C@H](CC)C(=O)Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C13H21N3O4/c1-5-7-8-9(6-2)10(17)20-13-15-11(18-3)14-12(16-13)19-4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyZDZZSNBYCQWHOC-VIFPVBQESA-N
XLogP2.01
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate (CID 11254589) is (4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate is CCCC[C@H](CC)C(=O)Oc1nc(OC)nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate?
The InChIKey is ZDZZSNBYCQWHOC-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21N3O4/c1-5-7-8-9(6-2)10(17)20-13-15-11(18-3)14-12(16-13)19-4/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate?
(4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate has a molecular weight of 283.33 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate is sourced from PubChem (CID 11254589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).