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

C26H30N2O5 — CID 10114840

IUPACethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(OCCn2c(CC)nc(-c3ccccc3)cc2=O)cc1
InChIInChI=1S/C26H30N2O5/c1-5-23-27-22(19-10-8-7-9-11-19)18-24(29)28(23)16-17-32-20-12-14-21(15-13-20)33-26(3,4)25(30)31-6-2/h7-15,18H,5-6,16-17H2,1-4H3
InChIKeyNSVXHXDZFAQLEF-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.27
Rot. Bonds10

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

ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]-2-methylpropanoate (PubChem CID 10114840) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]-2-methylpropanoate
PubChem CID10114840
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Nameethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(OCCn2c(CC)nc(-c3ccccc3)cc2=O)cc1
InChIInChI=1S/C26H30N2O5/c1-5-23-27-22(19-10-8-7-9-11-19)18-24(29)28(23)16-17-32-20-12-14-21(15-13-20)33-26(3,4)25(30)31-6-2/h7-15,18H,5-6,16-17H2,1-4H3
InChIKeyNSVXHXDZFAQLEF-UHFFFAOYSA-N
XLogP4.27
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate
CID 142176089
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
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-[4-(4-chlorophenyl)-2-ethyl-6-oxopyrimidin-1-yl]ethoxy]phenyl]-2-methylpropanoic acid
CID 18717814
3-[4-[2-[2-ethyl-4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethoxy]phenyl]-2-methylpropanoic acid
CID 18717810
ethyl 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 11025958
3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid
CID 91417154
ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate
CID 154100490
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
CID 23589999

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]-2-methylpropanoate (CID 10114840) is ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]-2-methylpropanoate is CCOC(=O)C(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]-2-methylpropanoate?
The InChIKey is NSVXHXDZFAQLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-5-23-27-22(19-10-8-7-9-11-19)18-24(29)28(23)16-17-32-20-12-14-21(15-13-20)33-26(3,4)25(30)31-6-2/h7-15,18H,5-6,16-17H2,1-4H3.
What are the key properties of ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]-2-methylpropanoate?
ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]-2-methylpropanoate has a molecular weight of 450.54 g/mol, XLogP of 4.27, 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]-2-methylpropanoate is sourced from PubChem (CID 10114840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).