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

C10H15N3O4 — CID 10752599

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-methylbutanoate
SMILESCCC(C)C(=O)Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C10H15N3O4/c1-5-6(2)7(14)17-10-12-8(15-3)11-9(13-10)16-4/h6H,5H2,1-4H3
InChIKeyZCFFEQYNYXBNMX-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.84
Rot. Bonds5

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

(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-methylbutanoate (PubChem CID 10752599) 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-methylbutanoate.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-methylbutanoate
PubChem CID10752599
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-methylbutanoate
SMILESCCC(C)C(=O)Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C10H15N3O4/c1-5-6(2)7(14)17-10-12-8(15-3)11-9(13-10)16-4/h6H,5H2,1-4H3
InChIKeyZCFFEQYNYXBNMX-UHFFFAOYSA-N
XLogP0.84
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
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

4,6-Dimethoxy-1,3,5-triazin-2-yl 2,2-dimethylpropanoate
CID 14783080
[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
Methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3-methylbutanoate
CID 53878965
(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-Butoxy-6-chloro-1,3,5-triazin-2-yl) propanoate
CID 140972027
(4,6-Dimethoxy-1,3,5-triazin-2-yl) propanoate
CID 147472445
1,3,5-Triazin-2-yl 2-methylbutanoate
CID 162483596
(4,6-Diamino-1,3,5-triazin-2-yl) 2-methylbutanoate
CID 164728717
(4,6-Dimethoxy-1,3,5-triazin-2-yl) pentanoate
CID 168908908
[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-methylbutanoate?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-methylbutanoate (CID 10752599) is (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-methylbutanoate.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-methylbutanoate?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-methylbutanoate is CCC(C)C(=O)Oc1nc(OC)nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-methylbutanoate?
The InChIKey is ZCFFEQYNYXBNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-5-6(2)7(14)17-10-12-8(15-3)11-9(13-10)16-4/h6H,5H2,1-4H3.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-methylbutanoate?
(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-methylbutanoate has a molecular weight of 241.25 g/mol, XLogP of 0.84, 5 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-methylbutanoate is sourced from PubChem (CID 10752599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).