ethyl 4-methyl-2-oxo-6-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

C15H14Cl3N3O5 — CID 24978750

IUPACethyl 4-methyl-2-oxo-6-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)c2ncc(Cl)c(Cl)c2Cl)NC(=O)NC1C
InChIInChI=1S/C15H14Cl3N3O5/c1-3-25-13(22)9-6(2)20-15(24)21-8(9)5-26-14(23)12-11(18)10(17)7(16)4-19-12/h4,6H,3,5H2,1-2H3,(H2,20,21,24)
InChIKeyRUUMAIWNOWNIQF-UHFFFAOYSA-N
MW422.65 g/mol
LogP2.72
Rot. Bonds5

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

ethyl 4-methyl-2-oxo-6-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 24978750) has the molecular formula C15H14Cl3N3O5 and a molecular weight of 422.65 g/mol. Its IUPAC name is ethyl 4-methyl-2-oxo-6-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-oxo-6-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID24978750
Molecular FormulaC15H14Cl3N3O5
Molecular Weight422.65 g/mol
Exact Mass421.00
IUPAC Nameethyl 4-methyl-2-oxo-6-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)c2ncc(Cl)c(Cl)c2Cl)NC(=O)NC1C
InChIInChI=1S/C15H14Cl3N3O5/c1-3-25-13(22)9-6(2)20-15(24)21-8(9)5-26-14(23)12-11(18)10(17)7(16)4-19-12/h4,6H,3,5H2,1-2H3,(H2,20,21,24)
InChIKeyRUUMAIWNOWNIQF-UHFFFAOYSA-N
XLogP2.72
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.65
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-methyl-2-oxo-6-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Related Compounds

[2-Oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2494573
[(1-Cyanocyclohexyl)carbamoyl]methyl 3,4,5-trichloropyridine-2-carboxylate
CID 7351747
[1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl] 3,4,5-trichloropyridine-2-carboxylate
CID 24980813
Ethyl 6-[(3,6-dichloropyridine-2-carbonyloxy)methyl]-4-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 25163077
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2495487
[2-(Cycloheptylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4269366
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 7351704
[2-(Benzylcarbamoylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2122573
[2-(Benzylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2484977
[2-Oxo-2-(2-phenylethylamino)ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 7649265
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 25162601
(1-Morpholin-4-yl-1-oxopropan-2-yl) 3,4,5-trichloropyridine-2-carboxylate
CID 16277832

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-oxo-6-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-oxo-6-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 24978750) is ethyl 4-methyl-2-oxo-6-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-oxo-6-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-oxo-6-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)c2ncc(Cl)c(Cl)c2Cl)NC(=O)NC1C.
What is the InChIKey of ethyl 4-methyl-2-oxo-6-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is RUUMAIWNOWNIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N3O5/c1-3-25-13(22)9-6(2)20-15(24)21-8(9)5-26-14(23)12-11(18)10(17)7(16)4-19-12/h4,6H,3,5H2,1-2H3,(H2,20,21,24).
What are the key properties of ethyl 4-methyl-2-oxo-6-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-methyl-2-oxo-6-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 422.65 g/mol, XLogP of 2.72, 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-[(3,4,5-trichloropyridine-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 24978750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).