4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine

C21H19N3O3 — CID 90134199

IUPAC4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine
SMILESCCOc1ncnc(C)c1-c1ccc(Oc2nccc3occc23)cc1C
InChIInChI=1S/C21H19N3O3/c1-4-25-21-19(14(3)23-12-24-21)16-6-5-15(11-13(16)2)27-20-17-8-10-26-18(17)7-9-22-20/h5-12H,4H2,1-3H3
InChIKeyFXASDENXAAMBPO-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.09
Rot. Bonds5

About 4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine

4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine (PubChem CID 90134199) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine
PubChem CID90134199
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine
SMILESCCOc1ncnc(C)c1-c1ccc(Oc2nccc3occc23)cc1C
InChIInChI=1S/C21H19N3O3/c1-4-25-21-19(14(3)23-12-24-21)16-6-5-15(11-13(16)2)27-20-17-8-10-26-18(17)7-9-22-20/h5-12H,4H2,1-3H3
InChIKeyFXASDENXAAMBPO-UHFFFAOYSA-N
XLogP5.09
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine?
The IUPAC name of 4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine (CID 90134199) is 4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine?
The canonical SMILES for 4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine is CCOc1ncnc(C)c1-c1ccc(Oc2nccc3occc23)cc1C.
What is the InChIKey of 4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine?
The InChIKey is FXASDENXAAMBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-4-25-21-19(14(3)23-12-24-21)16-6-5-15(11-13(16)2)27-20-17-8-10-26-18(17)7-9-22-20/h5-12H,4H2,1-3H3.
What are the key properties of 4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine?
4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine has a molecular weight of 361.40 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethoxy-6-methylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine is sourced from PubChem (CID 90134199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).