methyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate

C20H17FN2O3 — CID 2767784

IUPACmethyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H17FN2O3/c1-13(20(24)25-2)26-17-9-5-15(6-10-17)19-22-12-11-18(23-19)14-3-7-16(21)8-4-14/h3-13H,1-2H3
InChIKeySOFJRRDKXXEBPB-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.89
Rot. Bonds5

About methyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate

methyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate (PubChem CID 2767784) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is methyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate
PubChem CID2767784
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Namemethyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H17FN2O3/c1-13(20(24)25-2)26-17-9-5-15(6-10-17)19-22-12-11-18(23-19)14-3-7-16(21)8-4-14/h3-13H,1-2H3
InChIKeySOFJRRDKXXEBPB-UHFFFAOYSA-N
XLogP3.89
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimidine, 5-hexyl-2-[4-(pentyloxy)phenyl]-
CID 12238609
Methyl 2-{4-[4-(2-pyridinyl)-2-pyrimidinyl]phenoxy}acetate
CID 2767825
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
N-(1-(4-(4-fluorophenoxy)phenyl)propyl)-6-methylpyrimidin-4-amine
CID 16076208
4-Pyrimidinamine, N-[1-[4-(4-fluorophenoxy)phenyl]propyl]-6-propyl-
CID 16076209
(1R)-2-[[6-(4-ethoxy-3-fluorophenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918516
(2S)-1-[2-fluoro-4-(2-propan-2-ylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine
CID 135390126
4-(4-Methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 2810255
2-(4-Butoxyphenyl)-4-methyl-5-pyrimidinecarboxylic acid
CID 658215
Methyl 2-{4-[4-(4-bromophenyl)-2-pyrimidinyl]phenoxy}acetate
CID 1475120
4-[4-(4-Methoxyphenyl)-2-pyrimidinyl]benzenol
CID 1479927
4-[4-(Dimethoxymethyl)-2-pyrimidinyl]phenyl 4-fluorobenzenecarboxylate
CID 1491142

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate?
The IUPAC name of methyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate (CID 2767784) is methyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate?
The canonical SMILES for methyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate is COC(=O)C(C)Oc1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of methyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate?
The InChIKey is SOFJRRDKXXEBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-13(20(24)25-2)26-17-9-5-15(6-10-17)19-22-12-11-18(23-19)14-3-7-16(21)8-4-14/h3-13H,1-2H3.
What are the key properties of methyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate?
methyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate has a molecular weight of 352.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[4-(4-fluorophenyl)pyrimidin-2-yl]phenoxy]propanoate is sourced from PubChem (CID 2767784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).