ethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate

C19H24N2O4 — CID 8822607

IUPACethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate
SMILESC=CCOc1cccc([C@@H]2C(C(=O)OCC)=C(C)N(C)C(=O)N2C)c1
InChIInChI=1S/C19H24N2O4/c1-6-11-25-15-10-8-9-14(12-15)17-16(18(22)24-7-2)13(3)20(4)19(23)21(17)5/h6,8-10,12,17H,1,7,11H2,2-5H3/t17-/m1/s1
InChIKeyIKKPULKPLCNILA-QGZVFWFLSA-N
MW344.41 g/mol
LogP3.13
Rot. Bonds6

About ethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate

ethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate (PubChem CID 8822607) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate
PubChem CID8822607
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nameethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate
SMILESC=CCOc1cccc([C@@H]2C(C(=O)OCC)=C(C)N(C)C(=O)N2C)c1
InChIInChI=1S/C19H24N2O4/c1-6-11-25-15-10-8-9-14(12-15)17-16(18(22)24-7-2)13(3)20(4)19(23)21(17)5/h6,8-10,12,17H,1,7,11H2,2-5H3/t17-/m1/s1
InChIKeyIKKPULKPLCNILA-QGZVFWFLSA-N
XLogP3.13
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(3-bromophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
CID 42914516
benzyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate
CID 2794054
ethyl (4R)-4-(2,4-difluorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
CID 9449227
ethyl (6R)-3-[(2S)-1-methoxypropan-2-yl]-4-methyl-6-(3-prop-2-enoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 8863357
methyl (4S)-1,3,6-trimethyl-4-(3-nitrophenyl)-2-oxo-4H-pyrimidine-5-carboxylate
CID 748134
2,2-dimethylpropanoyloxymethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate
CID 15467041
ethyl 4-(1,3-diphenylpyrazol-4-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
CID 21178583
(4E)-4-[hydroxy-(1,3,5-trimethylpyrazol-4-yl)methylidene]-1-methyl-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
CID 110276797
ethyl 2-[4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-(3-prop-2-enoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3404266
ethyl 4-[7-methyl-3,9-dioxo-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18857966
ethyl (6R)-6-(3-cyclopentyloxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7472688
ethyl (2Z)-5-(3,4-diethoxyphenyl)-7-methyl-3-oxo-2-[(3-prop-2-enoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 6154676

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate (CID 8822607) is ethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate is C=CCOc1cccc([C@@H]2C(C(=O)OCC)=C(C)N(C)C(=O)N2C)c1.
What is the InChIKey of ethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate?
The InChIKey is IKKPULKPLCNILA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-6-11-25-15-10-8-9-14(12-15)17-16(18(22)24-7-2)13(3)20(4)19(23)21(17)5/h6,8-10,12,17H,1,7,11H2,2-5H3/t17-/m1/s1.
What are the key properties of ethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate?
ethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-1,3,6-trimethyl-2-oxo-4-(3-prop-2-enoxyphenyl)-4H-pyrimidine-5-carboxylate is sourced from PubChem (CID 8822607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).