4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine

C11H13N5O2 — CID 80872302

IUPAC4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2ccc(C)nc2)n1
InChIInChI=1S/C11H13N5O2/c1-3-17-10-14-9(12)15-11(16-10)18-8-5-4-7(2)13-6-8/h4-6H,3H2,1-2H3,(H2,12,14,15,16)
InChIKeyJBPWUQXEKZGIHB-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.35
Rot. Bonds4

About 4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine

4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine (PubChem CID 80872302) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
PubChem CID80872302
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2ccc(C)nc2)n1
InChIInChI=1S/C11H13N5O2/c1-3-17-10-14-9(12)15-11(16-10)18-8-5-4-7(2)13-6-8/h4-6H,3H2,1-2H3,(H2,12,14,15,16)
InChIKeyJBPWUQXEKZGIHB-UHFFFAOYSA-N
XLogP1.35
TPSA96.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine (CID 80872302) is 4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine is CCOc1nc(N)nc(Oc2ccc(C)nc2)n1.
What is the InChIKey of 4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine?
The InChIKey is JBPWUQXEKZGIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-3-17-10-14-9(12)15-11(16-10)18-8-5-4-7(2)13-6-8/h4-6H,3H2,1-2H3,(H2,12,14,15,16).
What are the key properties of 4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine?
4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine has a molecular weight of 247.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80872302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).