2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine

C17H15N3O2 — CID 14458749

IUPAC2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine
SMILESCOc1ccccc1Oc1cccc(-c2nccc(C)n2)n1
InChIInChI=1S/C17H15N3O2/c1-12-10-11-18-17(19-12)13-6-5-9-16(20-13)22-15-8-4-3-7-14(15)21-2/h3-11H,1-2H3
InChIKeyGPUAISMGEQPXTK-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.65
Rot. Bonds4

About 2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine

2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine (PubChem CID 14458749) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine
PubChem CID14458749
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine
SMILESCOc1ccccc1Oc1cccc(-c2nccc(C)n2)n1
InChIInChI=1S/C17H15N3O2/c1-12-10-11-18-17(19-12)13-6-5-9-16(20-13)22-15-8-4-3-7-14(15)21-2/h3-11H,1-2H3
InChIKeyGPUAISMGEQPXTK-UHFFFAOYSA-N
XLogP3.65
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine?
The IUPAC name of 2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine (CID 14458749) is 2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine?
The canonical SMILES for 2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine is COc1ccccc1Oc1cccc(-c2nccc(C)n2)n1.
What is the InChIKey of 2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine?
The InChIKey is GPUAISMGEQPXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-10-11-18-17(19-12)13-6-5-9-16(20-13)22-15-8-4-3-7-14(15)21-2/h3-11H,1-2H3.
What are the key properties of 2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine?
2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine has a molecular weight of 293.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine is sourced from PubChem (CID 14458749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).