methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate

C18H15N3O3 — CID 2767825

IUPACmethyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C18H15N3O3/c1-23-17(22)12-24-14-7-5-13(6-8-14)18-20-11-9-16(21-18)15-4-2-3-10-19-15/h2-11H,12H2,1H3
InChIKeyVMHLBRGKUAWBAN-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.76
Rot. Bonds5

About methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate

methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate (PubChem CID 2767825) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate
PubChem CID2767825
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Namemethyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C18H15N3O3/c1-23-17(22)12-24-14-7-5-13(6-8-14)18-20-11-9-16(21-18)15-4-2-3-10-19-15/h2-11H,12H2,1H3
InChIKeyVMHLBRGKUAWBAN-UHFFFAOYSA-N
XLogP2.76
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-{4-[4-(4-fluorophenyl)-2-pyrimidinyl]phenoxy}propanoate
CID 2767784
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475724
4-{[2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile
CID 1478442
4-(4-Methoxyphenyl)-6-(4-methylpiperazino)-2-(2-pyridinyl)-5-pyrimidinecarbonitrile
CID 3379226
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-4-ylpyrimidin-4-amine
CID 11667189
1-[2-[4-Methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine;oxalic acid
CID 18986912
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine
CID 53325827
2-[4-(4-Ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71585718
4-(4-Methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 2810255
Methyl 2-{4-[4-(4-bromophenyl)-2-pyrimidinyl]phenoxy}acetate
CID 1475120
4-[4-(4-Methoxyphenyl)-2-pyrimidinyl]benzenol
CID 1479927

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate (CID 2767825) is methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate is COC(=O)COc1ccc(-c2nccc(-c3ccccn3)n2)cc1.
What is the InChIKey of methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate?
The InChIKey is VMHLBRGKUAWBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-23-17(22)12-24-14-7-5-13(6-8-14)18-20-11-9-16(21-18)15-4-2-3-10-19-15/h2-11H,12H2,1H3.
What are the key properties of methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate?
methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate has a molecular weight of 321.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetate is sourced from PubChem (CID 2767825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).