ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate

C25H28N2O5 — CID 142176089

IUPACethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(OCCn2c(CC)nc(-c3ccccc3)cc2=O)cc1
InChIInChI=1S/C25H28N2O5/c1-4-23-26-22(19-9-7-6-8-10-19)17-24(28)27(23)15-16-31-20-11-13-21(14-12-20)32-18(3)25(29)30-5-2/h6-14,17-18H,4-5,15-16H2,1-3H3
InChIKeyJWHIDYKCCBKLAO-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.88
Rot. Bonds10

About ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate

ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate (PubChem CID 142176089) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate
PubChem CID142176089
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Nameethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(OCCn2c(CC)nc(-c3ccccc3)cc2=O)cc1
InChIInChI=1S/C25H28N2O5/c1-4-23-26-22(19-9-7-6-8-10-19)17-24(28)27(23)15-16-31-20-11-13-21(14-12-20)32-18(3)25(29)30-5-2/h6-14,17-18H,4-5,15-16H2,1-3H3
InChIKeyJWHIDYKCCBKLAO-UHFFFAOYSA-N
XLogP3.88
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate with MolForge

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Related Compounds

ethyl (2R)-2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]anilino]pentanoate
CID 10139661
ethyl (2S)-2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]anilino]pentanoate
CID 10161873
ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]-2-methylpropanoate
CID 10114840
2-ethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]-6-phenylpyrimidin-4-one
CID 18717793
ethyl 2-ethoxy-3-[4-[2-(6-oxo-4-phenyl-2-propylpyrimidin-1-yl)ethoxy]phenyl]propanoate
CID 22137694
3-[4-[2-[2-ethyl-4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethoxy]phenyl]-2-methylpropanoic acid
CID 18717810
3-[4-[2-[4-(4-chlorophenyl)-2-ethyl-6-oxopyrimidin-1-yl]ethoxy]phenyl]-2-methylpropanoic acid
CID 18717814
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
2-ethyl-6-methyl-3-[2-[4-(pentan-2-ylamino)phenoxy]ethyl]pyrimidin-4-one
CID 59036049
3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid
CID 91417154
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate (CID 142176089) is ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(OCCn2c(CC)nc(-c3ccccc3)cc2=O)cc1.
What is the InChIKey of ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate?
The InChIKey is JWHIDYKCCBKLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-4-23-26-22(19-9-7-6-8-10-19)17-24(28)27(23)15-16-31-20-11-13-21(14-12-20)32-18(3)25(29)30-5-2/h6-14,17-18H,4-5,15-16H2,1-3H3.
What are the key properties of ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate?
ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate has a molecular weight of 436.51 g/mol, XLogP of 3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate is sourced from PubChem (CID 142176089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).