ethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate

C23H25N3O5 — CID 7294613

IUPACethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C23H25N3O5/c1-4-30-22(28)20-15(2)26(3)23(29)25-21(20)16-9-8-10-17(13-16)24-19(27)14-31-18-11-6-5-7-12-18/h5-13,21H,4,14H2,1-3H3,(H,24,27)(H,25,29)/t21-/m1/s1
InChIKeyHCRVFFAYIFGMHM-OAQYLSRUSA-N
MW423.47 g/mol
LogP3.24
Rot. Bonds7

About ethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate

ethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 7294613) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is ethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate
PubChem CID7294613
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Nameethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C23H25N3O5/c1-4-30-22(28)20-15(2)26(3)23(29)25-21(20)16-9-8-10-17(13-16)24-19(27)14-31-18-11-6-5-7-12-18/h5-13,21H,4,14H2,1-3H3,(H,24,27)(H,25,29)/t21-/m1/s1
InChIKeyHCRVFFAYIFGMHM-OAQYLSRUSA-N
XLogP3.24
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 3,4-dimethyl-6-[3-(3-methylbutanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 42753228
ethyl 3-butyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-4-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661189
ethyl 6-[3-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661120
ethyl (6R)-6-[3-(3-cyclopentylpropanoylamino)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7337798
ethyl 3,4-dimethyl-6-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 4876878
ethyl (6R)-6-[3-[(4-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7361179
ethyl (6S)-3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 721516
ethyl (6R)-6-(3-fluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 694277
ethyl (6R)-6-(3-cyclopentyloxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7472688
ethyl 6-[3-(benzylcarbamoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 3929938
ethyl 6-[3-(cyclopropanecarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 42763347
ethyl 3-ethyl-6-[3-[(3-methoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 3607379

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate (CID 7294613) is ethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(NC(=O)COc2ccccc2)c1.
What is the InChIKey of ethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is HCRVFFAYIFGMHM-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-4-30-22(28)20-15(2)26(3)23(29)25-21(20)16-9-8-10-17(13-16)24-19(27)14-31-18-11-6-5-7-12-18/h5-13,21H,4,14H2,1-3H3,(H,24,27)(H,25,29)/t21-/m1/s1.
What are the key properties of ethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate?
ethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 423.47 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 7294613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).