ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate

C22H22N2O3 — CID 174895462

IUPACethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccccc1-c1ccnc(-c2ccccc2OC)n1
InChIInChI=1S/C22H22N2O3/c1-3-27-21(25)13-12-16-8-4-5-9-17(16)19-14-15-23-22(24-19)18-10-6-7-11-20(18)26-2/h4-11,14-15H,3,12-13H2,1-2H3
InChIKeyIUHHPYOEUXPMKR-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.31
Rot. Bonds7

About ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate

ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate (PubChem CID 174895462) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate
PubChem CID174895462
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Nameethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccccc1-c1ccnc(-c2ccccc2OC)n1
InChIInChI=1S/C22H22N2O3/c1-3-27-21(25)13-12-16-8-4-5-9-17(16)19-14-15-23-22(24-19)18-10-6-7-11-20(18)26-2/h4-11,14-15H,3,12-13H2,1-2H3
InChIKeyIUHHPYOEUXPMKR-UHFFFAOYSA-N
XLogP4.31
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(3-methoxy-2-methylphenyl)propanoate
CID 68850412
ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
CID 67626781
ethyl 3-[2-(methoxymethoxy)phenyl]propanoate
CID 102097984
ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate
CID 139988094
[2-(2-methoxyphenyl)pyrimidin-4-yl]methanol
CID 62748662
(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
ethyl 3-[[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]propanoate
CID 26337146
2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 135322262
ethyl 3-[2-methoxy-3-(trifluoromethoxy)phenyl]propanoate
CID 134632476
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368789
ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate
CID 134640472

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate?
The IUPAC name of ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate (CID 174895462) is ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate is CCOC(=O)CCc1ccccc1-c1ccnc(-c2ccccc2OC)n1.
What is the InChIKey of ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate?
The InChIKey is IUHHPYOEUXPMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-3-27-21(25)13-12-16-8-4-5-9-17(16)19-14-15-23-22(24-19)18-10-6-7-11-20(18)26-2/h4-11,14-15H,3,12-13H2,1-2H3.
What are the key properties of ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate?
ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate has a molecular weight of 362.43 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate is sourced from PubChem (CID 174895462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).