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

C13H21N3O4 — CID 59125208

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl) 2,3,3-trimethylpentanoate
SMILESCCC(C)(C)C(C)C(=O)Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C13H21N3O4/c1-7-13(3,4)8(2)9(17)20-12-15-10(18-5)14-11(16-12)19-6/h8H,7H2,1-6H3
InChIKeyVERUWMSQUGDZOT-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.87
Rot. Bonds6

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

(4,6-dimethoxy-1,3,5-triazin-2-yl) 2,3,3-trimethylpentanoate (PubChem CID 59125208) 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) 2,3,3-trimethylpentanoate.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl) 2,3,3-trimethylpentanoate
PubChem CID59125208
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl) 2,3,3-trimethylpentanoate
SMILESCCC(C)(C)C(C)C(=O)Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C13H21N3O4/c1-7-13(3,4)8(2)9(17)20-12-15-10(18-5)14-11(16-12)19-6/h8H,7H2,1-6H3
InChIKeyVERUWMSQUGDZOT-UHFFFAOYSA-N
XLogP1.87
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Related Compounds

(4,6-Dimethoxy-1,3,5-triazin-2-yl) 2-ethylhexanoate
CID 14783079
(4,6-Dimethoxy-1,3,5-triazin-2-yl) cyclobutanecarboxylate
CID 68369073
(4,6-Dimethoxy-1,3,5-triazin-2-yl) pentanoate
CID 168908908
(4,6-Dimethoxy-1,3,5-triazin-2-yl) 2-methylbutanoate
CID 10752599
(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) 2,3,3-trimethylpentanoate?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2,3,3-trimethylpentanoate (CID 59125208) is (4,6-dimethoxy-1,3,5-triazin-2-yl) 2,3,3-trimethylpentanoate.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl) 2,3,3-trimethylpentanoate?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl) 2,3,3-trimethylpentanoate is CCC(C)(C)C(C)C(=O)Oc1nc(OC)nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2,3,3-trimethylpentanoate?
The InChIKey is VERUWMSQUGDZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-7-13(3,4)8(2)9(17)20-12-15-10(18-5)14-11(16-12)19-6/h8H,7H2,1-6H3.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2,3,3-trimethylpentanoate?
(4,6-dimethoxy-1,3,5-triazin-2-yl) 2,3,3-trimethylpentanoate has a molecular weight of 283.33 g/mol, XLogP of 1.87, 6 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) 2,3,3-trimethylpentanoate is sourced from PubChem (CID 59125208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).