3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate

C19H23N2O5- — CID 22137704

IUPAC3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate
SMILESCCOC(Cc1ccc(OCCn2c(C)nc(C)cc2=O)cc1)C(=O)[O-]
InChIInChI=1S/C19H24N2O5/c1-4-25-17(19(23)24)12-15-5-7-16(8-6-15)26-10-9-21-14(3)20-13(2)11-18(21)22/h5-8,11,17H,4,9-10,12H2,1-3H3,(H,23,24)/p-1
InChIKeyPTSLPPOHRLKEBE-UHFFFAOYSA-M
MW359.40 g/mol
LogP0.64
Rot. Bonds9

About 3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate

3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate (PubChem CID 22137704) has the molecular formula C19H23N2O5- and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate.

Molecular Properties

Compound Name3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate
PubChem CID22137704
Molecular FormulaC19H23N2O5-
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate
SMILESCCOC(Cc1ccc(OCCn2c(C)nc(C)cc2=O)cc1)C(=O)[O-]
InChIInChI=1S/C19H24N2O5/c1-4-25-17(19(23)24)12-15-5-7-16(8-6-15)26-10-9-21-14(3)20-13(2)11-18(21)22/h5-8,11,17H,4,9-10,12H2,1-3H3,(H,23,24)/p-1
InChIKeyPTSLPPOHRLKEBE-UHFFFAOYSA-M
XLogP0.64
TPSA93.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-3-[4-[2-(4-methyl-6-oxo-2-propylpyrimidin-1-yl)ethoxy]phenyl]propanoic acid
CID 22137684
potassium (2S)-3-[4-[2-(1,5-dimethyl-7-oxo-3-propylpyrazolo[4,5-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxypropanoate
CID 23692123
2-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]acetonitrile
CID 63769357
(2S)-3-[4-[2-(1,5-dimethyl-7-oxo-3-propylpyrazolo[4,5-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxypropanoate;[(1R)-1-phenylethyl]azanium
CID 159490583
magnesium bis(2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoate)
CID 142716754
ethyl 2-ethoxy-3-[4-[2-(6-oxo-4-phenyl-2-propylpyrimidin-1-yl)ethoxy]phenyl]propanoate
CID 22137694
(2S)-2-ethoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoate
CID 58822722
(2S)-2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoate
CID 59905798
2-ethoxy-3-[4-[2-(2-formylpyrrol-1-yl)ethoxy]phenyl]propanoate
CID 22168739
lithium (2R)-2-ethoxy-3-[4-[2-(5-ethyl-1-methyl-7-oxo-3-propylpyrazolo[4,5-d]pyrimidin-6-yl)ethoxy]phenyl]propanoate
CID 23708961
calcium (2R)-3-[4-[2-(1,5-dimethyl-7-oxo-3-propylpyrazolo[4,5-d]pyrimidin-6-yl)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 10227805
2-ethoxy-3-[4-[2-[2-(4-ethoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid
CID 10274781

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate?
The IUPAC name of 3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate (CID 22137704) is 3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate.
What is the SMILES notation for 3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate?
The canonical SMILES for 3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate is CCOC(Cc1ccc(OCCn2c(C)nc(C)cc2=O)cc1)C(=O)[O-].
What is the InChIKey of 3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate?
The InChIKey is PTSLPPOHRLKEBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H24N2O5/c1-4-25-17(19(23)24)12-15-5-7-16(8-6-15)26-10-9-21-14(3)20-13(2)11-18(21)22/h5-8,11,17H,4,9-10,12H2,1-3H3,(H,23,24)/p-1.
What are the key properties of 3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate?
3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate has a molecular weight of 359.40 g/mol, XLogP of 0.64, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]-2-ethoxypropanoate is sourced from PubChem (CID 22137704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).