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

C19H17N3O3 — CID 3773770

IUPACmethyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C19H17N3O3/c1-13(19(23)24-2)25-15-8-6-14(7-9-15)18-21-12-10-17(22-18)16-5-3-4-11-20-16/h3-13H,1-2H3
InChIKeyCAPQLPZSOFKCDO-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.15
Rot. Bonds5

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

methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]propanoate (PubChem CID 3773770) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]propanoate
PubChem CID3773770
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Namemethyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C19H17N3O3/c1-13(19(23)24-2)25-15-8-6-14(7-9-15)18-21-12-10-17(22-18)16-5-3-4-11-20-16/h3-13H,1-2H3
InChIKeyCAPQLPZSOFKCDO-UHFFFAOYSA-N
XLogP3.15
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-(4-pyridin-2-ylpyrimidin-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

Methyl 2-{4-[4-(4-fluorophenyl)-2-pyrimidinyl]phenoxy}propanoate
CID 2767784
Methyl 2-{4-[4-(2-pyridinyl)-2-pyrimidinyl]phenoxy}acetate
CID 2767825
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-4-ylpyrimidin-4-amine
CID 11667189
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
Methyl 2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}propanoate
CID 2767750
4-(4-Fluorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine
CID 2767762
2-{4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenoxy}acetic acid
CID 2767852
3-Fluoropropyl 4-(2-phenyl-4-pyrimidinyl)phenyl ether
CID 3693151

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]propanoate?
The IUPAC name of methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]propanoate (CID 3773770) is methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]propanoate?
The canonical SMILES for methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]propanoate is COC(=O)C(C)Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1.
What is the InChIKey of methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]propanoate?
The InChIKey is CAPQLPZSOFKCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13(19(23)24-2)25-15-8-6-14(7-9-15)18-21-12-10-17(22-18)16-5-3-4-11-20-16/h3-13H,1-2H3.
What are the key properties of methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]propanoate?
methyl 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]propanoate has a molecular weight of 335.36 g/mol, XLogP of 3.15, 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]propanoate is sourced from PubChem (CID 3773770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).