[4,6-bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate

C18H27N3O6 — CID 16663729

IUPAC[4,6-bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1nc(OC(=O)C(C)(C)C)nc(OC(=O)C(C)(C)C)n1
InChIInChI=1S/C18H27N3O6/c1-16(2,3)10(22)25-13-19-14(26-11(23)17(4,5)6)21-15(20-13)27-12(24)18(7,8)9/h1-9H3
InChIKeyBHWQWZJCJRSUAX-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.73
Rot. Bonds3

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

[4,6-bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate (PubChem CID 16663729) has the molecular formula C18H27N3O6 and a molecular weight of 381.43 g/mol. Its IUPAC name is [4,6-bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4,6-bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate
PubChem CID16663729
Molecular FormulaC18H27N3O6
Molecular Weight381.43 g/mol
Exact Mass381.19
IUPAC Name[4,6-bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1nc(OC(=O)C(C)(C)C)nc(OC(=O)C(C)(C)C)n1
InChIInChI=1S/C18H27N3O6/c1-16(2,3)10(22)25-13-19-14(26-11(23)17(4,5)6)21-15(20-13)27-12(24)18(7,8)9/h1-9H3
InChIKeyBHWQWZJCJRSUAX-UHFFFAOYSA-N
XLogP2.73
TPSA117.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

4,6-Dimethoxy-1,3,5-triazin-2-yl 2,2-dimethylpropanoate
CID 14783080
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-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-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) propanoate
CID 147472445
(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-Ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate
CID 101220024
(4,6-Dimethoxy-1,3,5-triazin-2-yl) butanoate
CID 131847924

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4,6-bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate (CID 16663729) is [4,6-bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4,6-bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4,6-bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)Oc1nc(OC(=O)C(C)(C)C)nc(OC(=O)C(C)(C)C)n1.
What is the InChIKey of [4,6-bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate?
The InChIKey is BHWQWZJCJRSUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O6/c1-16(2,3)10(22)25-13-19-14(26-11(23)17(4,5)6)21-15(20-13)27-12(24)18(7,8)9/h1-9H3.
What are the key properties of [4,6-bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate?
[4,6-bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate has a molecular weight of 381.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 16663729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).