methyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate

C18H20N2O7 — CID 18953276

IUPACmethyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate
SMILESCOC(=O)C(C)OCC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C18H20N2O7/c1-11(17(22)25-4)26-10-13(21)12-7-5-6-8-14(12)27-18-19-15(23-2)9-16(20-18)24-3/h5-9,11H,10H2,1-4H3
InChIKeyONTIDYNWBSXPRJ-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.05
Rot. Bonds9

About methyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate

methyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate (PubChem CID 18953276) has the molecular formula C18H20N2O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is methyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate
PubChem CID18953276
Molecular FormulaC18H20N2O7
Molecular Weight376.37 g/mol
Exact Mass376.13
IUPAC Namemethyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate
SMILESCOC(=O)C(C)OCC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C18H20N2O7/c1-11(17(22)25-4)26-10-13(21)12-7-5-6-8-14(12)27-18-19-15(23-2)9-16(20-18)24-3/h5-9,11H,10H2,1-4H3
InChIKeyONTIDYNWBSXPRJ-UHFFFAOYSA-N
XLogP2.05
TPSA106.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate
CID 20788772
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 20788759
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 3475258
methyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]pent-4-enoate
CID 20788800
tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]-4-methylpentanoate
CID 20788796
prop-2-enyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]-3-methylpentanoate
CID 20788816
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 20788818
diethyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]pentanedioate
CID 3576006
N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
CID 20850303
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid
CID 142634334
N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide
CID 4152975

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate?
The IUPAC name of methyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate (CID 18953276) is methyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate.
What is the SMILES notation for methyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate?
The canonical SMILES for methyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate is COC(=O)C(C)OCC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1.
What is the InChIKey of methyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate?
The InChIKey is ONTIDYNWBSXPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7/c1-11(17(22)25-4)26-10-13(21)12-7-5-6-8-14(12)27-18-19-15(23-2)9-16(20-18)24-3/h5-9,11H,10H2,1-4H3.
What are the key properties of methyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate?
methyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate has a molecular weight of 376.37 g/mol, XLogP of 2.05, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate is sourced from PubChem (CID 18953276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).