ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C18H24N2O5 — CID 2947286

IUPACethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOCc1cc(C2NC(=O)NC(C)=C2C(=O)OCC)ccc1OC
InChIInChI=1S/C18H24N2O5/c1-5-24-10-13-9-12(7-8-14(13)23-4)16-15(17(21)25-6-2)11(3)19-18(22)20-16/h7-9,16H,5-6,10H2,1-4H3,(H2,19,20,22)
InChIKeyDUVOASPCOXEFKN-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.42
Rot. Bonds7

About ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 2947286) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID2947286
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Nameethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOCc1cc(C2NC(=O)NC(C)=C2C(=O)OCC)ccc1OC
InChIInChI=1S/C18H24N2O5/c1-5-24-10-13-9-12(7-8-14(13)23-4)16-15(17(21)25-6-2)11(3)19-18(22)20-16/h7-9,16H,5-6,10H2,1-4H3,(H2,19,20,22)
InChIKeyDUVOASPCOXEFKN-UHFFFAOYSA-N
XLogP2.42
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 2947286) is ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOCc1cc(C2NC(=O)NC(C)=C2C(=O)OCC)ccc1OC.
What is the InChIKey of ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is DUVOASPCOXEFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-5-24-10-13-9-12(7-8-14(13)23-4)16-15(17(21)25-6-2)11(3)19-18(22)20-16/h7-9,16H,5-6,10H2,1-4H3,(H2,19,20,22).
What are the key properties of ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2947286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).