ethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

C15H20N4O6 — CID 55402257

IUPACethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN2C(=O)C(=O)N(C(C)C)C2=O)NC(=O)NC1C
InChIInChI=1S/C15H20N4O6/c1-5-25-13(22)10-8(4)16-14(23)17-9(10)6-18-11(20)12(21)19(7(2)3)15(18)24/h7-8H,5-6H2,1-4H3,(H2,16,17,23)
InChIKeyQFLIXGGTHKDBIB-UHFFFAOYSA-N
MW352.35 g/mol
LogP-0.30
Rot. Bonds5

About ethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 55402257) has the molecular formula C15H20N4O6 and a molecular weight of 352.35 g/mol. Its IUPAC name is ethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID55402257
Molecular FormulaC15H20N4O6
Molecular Weight352.35 g/mol
Exact Mass352.14
IUPAC Nameethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN2C(=O)C(=O)N(C(C)C)C2=O)NC(=O)NC1C
InChIInChI=1S/C15H20N4O6/c1-5-25-13(22)10-8(4)16-14(23)17-9(10)6-18-11(20)12(21)19(7(2)3)15(18)24/h7-8H,5-6H2,1-4H3,(H2,16,17,23)
InChIKeyQFLIXGGTHKDBIB-UHFFFAOYSA-N
XLogP-0.30
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-methyl-2-oxo-6-[[2,4,5-trioxo-3-(1-phenylethyl)imidazolidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55547281
ethyl (4S)-4-methyl-6-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 124838090
ethyl 6-(bromomethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2778109
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CID 51170640
ethyl (4R)-6-[(4-benzylpiperazin-1-yl)methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 30726130
ethyl 6-(3-bromopropyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102027126
ethyl 6-[[(3S)-3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55934489
ethyl 6-cyclopropyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 135083855
ethyl 4-methyl-6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55498246
ethyl (4R)-6-[[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7563134
ethyl (4S)-4-methyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7571418
ethyl 6-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55402199

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 55402257) is ethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(CN2C(=O)C(=O)N(C(C)C)C2=O)NC(=O)NC1C.
What is the InChIKey of ethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is QFLIXGGTHKDBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O6/c1-5-25-13(22)10-8(4)16-14(23)17-9(10)6-18-11(20)12(21)19(7(2)3)15(18)24/h7-8H,5-6H2,1-4H3,(H2,16,17,23).
What are the key properties of ethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 352.35 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-oxo-6-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 55402257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).