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

C13H21N3O4 — CID 14783079

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-ethylhexanoate
SMILESCCCCC(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
InChIKeyZDZZSNBYCQWHOC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.01
Rot. Bonds8

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

(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-ethylhexanoate (PubChem CID 14783079) 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) 2-ethylhexanoate.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-ethylhexanoate
PubChem CID14783079
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-ethylhexanoate
SMILESCCCCC(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
InChIKeyZDZZSNBYCQWHOC-UHFFFAOYSA-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

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Related Compounds

(4,6-Dimethoxy-1,3,5-triazin-2-yl) 2,3,3-trimethylpentanoate
CID 59125208
(4,6-Dimethoxy-1,3,5-triazin-2-yl) cyclobutanecarboxylate
CID 68369073
(4,6-Dimethoxy-1,3,5-triazin-2-yl) octadecanoate
CID 178852596
(4,6-Dimethoxy-1,3,5-triazin-2-yl) octanoate
CID 10731685
(4,6-Dimethoxy-1,3,5-triazin-2-yl) nonadecanoate
CID 10765429
(4,6-dimethoxy-1,3,5-triazin-2-yl) (2S)-2-ethylhexanoate
CID 11254589
(4,6-dimethoxy-1,3,5-triazin-2-yl) (2R)-2-ethylhexanoate
CID 135712838

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-ethylhexanoate?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-ethylhexanoate (CID 14783079) is (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-ethylhexanoate.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-ethylhexanoate?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-ethylhexanoate is CCCCC(CC)C(=O)Oc1nc(OC)nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-ethylhexanoate?
The InChIKey is ZDZZSNBYCQWHOC-UHFFFAOYSA-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.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-ethylhexanoate?
(4,6-dimethoxy-1,3,5-triazin-2-yl) 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) 2-ethylhexanoate is sourced from PubChem (CID 14783079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).