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

C10H15N3O4 — CID 14783080

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate
SMILESCOc1nc(OC)nc(OC(=O)C(C)(C)C)n1
InChIInChI=1S/C10H15N3O4/c1-10(2,3)6(14)17-9-12-7(15-4)11-8(13-9)16-5/h1-5H3
InChIKeyHBGGPCYFWMJIJT-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.84
Rot. Bonds3

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

(4,6-dimethoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate (PubChem CID 14783080) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate
PubChem CID14783080
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate
SMILESCOc1nc(OC)nc(OC(=O)C(C)(C)C)n1
InChIInChI=1S/C10H15N3O4/c1-10(2,3)6(14)17-9-12-7(15-4)11-8(13-9)16-5/h1-5H3
InChIKeyHBGGPCYFWMJIJT-UHFFFAOYSA-N
XLogP0.84
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N2,N4,N6-Tripivaloyloxymethyl-N2,N4,N6-trimethylmelamine
CID 362525
((4,6-Bis(methyl((propionyloxy)methyl)amino)-1,3,5-triazin-2-yl)(methyl)amino)methyl propionate
CID 362184
(4,6-Diacetyloxy-1,3,5-triazin-2-yl) acetate
CID 527095
[4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate
CID 53342810
[4,6-Bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate
CID 11595262
[4,6-Di(propanoyloxy)-1,3,5-triazin-2-yl] propanoate
CID 20363372
(4,6-Dimethoxy-1,3,5-triazin-2-yl) acetate
CID 58220548
(4-Butoxy-6-chloro-1,3,5-triazin-2-yl) propanoate
CID 140972027
(4,6-Dimethoxy-1,3,5-triazin-2-yl) propanoate
CID 147472445
(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-bis[[(2S)-2-methylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2S)-2-methylbutanoate
CID 16663502

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate (CID 14783080) is (4,6-dimethoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate is COc1nc(OC)nc(OC(=O)C(C)(C)C)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate?
The InChIKey is HBGGPCYFWMJIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-10(2,3)6(14)17-9-12-7(15-4)11-8(13-9)16-5/h1-5H3.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate?
(4,6-dimethoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate has a molecular weight of 241.25 g/mol, XLogP of 0.84, 3 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) 2,2-dimethylpropanoate is sourced from PubChem (CID 14783080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).