[4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate

C15H21N3O6 — CID 11595262

IUPAC[4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1nc(OC(=O)C(C)C)nc(OC(=O)C(C)C)n1
InChIInChI=1S/C15H21N3O6/c1-7(2)10(19)22-13-16-14(23-11(20)8(3)4)18-15(17-13)24-12(21)9(5)6/h7-9H,1-6H3
InChIKeyGMQINEGAKDSUDH-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.56
Rot. Bonds6

About [4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate

[4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate (PubChem CID 11595262) has the molecular formula C15H21N3O6 and a molecular weight of 339.35 g/mol. Its IUPAC name is [4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate
PubChem CID11595262
Molecular FormulaC15H21N3O6
Molecular Weight339.35 g/mol
Exact Mass339.14
IUPAC Name[4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1nc(OC(=O)C(C)C)nc(OC(=O)C(C)C)n1
InChIInChI=1S/C15H21N3O6/c1-7(2)10(19)22-13-16-14(23-11(20)8(3)4)18-15(17-13)24-12(21)9(5)6/h7-9H,1-6H3
InChIKeyGMQINEGAKDSUDH-UHFFFAOYSA-N
XLogP1.56
TPSA117.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate with MolForge

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Related Compounds

4,6-Dimethoxy-1,3,5-triazin-2-yl 2,2-dimethylpropanoate
CID 14783080
((4,6-Bis(methyl((propionyloxy)methyl)amino)-1,3,5-triazin-2-yl)(methyl)amino)methyl propionate
CID 362184
((4,6-Bis(((isobutyryloxy)methyl)(methyl)amino)-1,3,5-triazin-2-yl)(methyl)amino)methyl 2-methylpropanoate
CID 362524
(4,6-Diacetyloxy-1,3,5-triazin-2-yl) acetate
CID 527095
[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
(4,6-Dimethoxy-1,3,5-triazin-2-yl) propanoate
CID 147472445
(4,6-Diamino-1,3,5-triazin-2-yl) 2-methylbutanoate
CID 164728717
(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
[4,6-Bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate
CID 16663729
(4-Ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate
CID 101220024

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate?
The IUPAC name of [4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate (CID 11595262) is [4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate.
What is the SMILES notation for [4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate?
The canonical SMILES for [4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate is CC(C)C(=O)Oc1nc(OC(=O)C(C)C)nc(OC(=O)C(C)C)n1.
What is the InChIKey of [4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate?
The InChIKey is GMQINEGAKDSUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6/c1-7(2)10(19)22-13-16-14(23-11(20)8(3)4)18-15(17-13)24-12(21)9(5)6/h7-9H,1-6H3.
What are the key properties of [4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate?
[4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate has a molecular weight of 339.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate is sourced from PubChem (CID 11595262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).