ethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C20H28N2O5 — CID 10499775

IUPACethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCc1cc(C2NC(=O)NC(C)=C2C(=O)OCC)c(OC)cc1OCC
InChIInChI=1S/C20H28N2O5/c1-6-9-13-10-14(16(25-5)11-15(13)26-7-2)18-17(19(23)27-8-3)12(4)21-20(24)22-18/h10-11,18H,6-9H2,1-5H3,(H2,21,22,24)
InChIKeyAHULCJGVSNNUAK-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.24
Rot. Bonds8

About ethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 10499775) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is ethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID10499775
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nameethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCc1cc(C2NC(=O)NC(C)=C2C(=O)OCC)c(OC)cc1OCC
InChIInChI=1S/C20H28N2O5/c1-6-9-13-10-14(16(25-5)11-15(13)26-7-2)18-17(19(23)27-8-3)12(4)21-20(24)22-18/h10-11,18H,6-9H2,1-5H3,(H2,21,22,24)
InChIKeyAHULCJGVSNNUAK-UHFFFAOYSA-N
XLogP3.24
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl (4R)-6-methyl-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1016450
ethyl 6-methyl-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2847674
ethyl (4S)-6-methyl-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1016448
ethyl (4S)-4-(5-chloro-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 893219
ethyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 675136
ethyl (4S)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 803073
ethyl (4R)-4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1068410
ethyl (4R)-4-(5-bromo-2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1242136
ethyl (4S)-4-(2-ethoxy-5-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27136407
methyl 6-methyl-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2867495
ethyl (4S)-4-(2-bromo-4-ethoxy-5-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27137116
ethyl 4-(2-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2961020

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 10499775) is ethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCCc1cc(C2NC(=O)NC(C)=C2C(=O)OCC)c(OC)cc1OCC.
What is the InChIKey of ethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is AHULCJGVSNNUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-6-9-13-10-14(16(25-5)11-15(13)26-7-2)18-17(19(23)27-8-3)12(4)21-20(24)22-18/h10-11,18H,6-9H2,1-5H3,(H2,21,22,24).
What are the key properties of ethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 376.45 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethoxy-2-methoxy-5-propylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 10499775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).