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

C15H15Cl2N3O5 — CID 25163077

IUPACethyl 6-[(3,6-dichloropyridine-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)c2nc(Cl)ccc2Cl)NC(=O)NC1C
InChIInChI=1S/C15H15Cl2N3O5/c1-3-24-13(21)11-7(2)18-15(23)19-9(11)6-25-14(22)12-8(16)4-5-10(17)20-12/h4-5,7H,3,6H2,1-2H3,(H2,18,19,23)
InChIKeyFZMWZUHSVRJZGU-UHFFFAOYSA-N
MW388.21 g/mol
LogP2.06
Rot. Bonds5

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

ethyl 6-[(3,6-dichloropyridine-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 25163077) has the molecular formula C15H15Cl2N3O5 and a molecular weight of 388.21 g/mol. Its IUPAC name is ethyl 6-[(3,6-dichloropyridine-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(3,6-dichloropyridine-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID25163077
Molecular FormulaC15H15Cl2N3O5
Molecular Weight388.21 g/mol
Exact Mass387.04
IUPAC Nameethyl 6-[(3,6-dichloropyridine-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)c2nc(Cl)ccc2Cl)NC(=O)NC1C
InChIInChI=1S/C15H15Cl2N3O5/c1-3-24-13(21)11-7(2)18-15(23)19-9(11)6-25-14(22)12-8(16)4-5-10(17)20-12/h4-5,7H,3,6H2,1-2H3,(H2,18,19,23)
InChIKeyFZMWZUHSVRJZGU-UHFFFAOYSA-N
XLogP2.06
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Related Compounds

{[(4-Chlorophenyl)methyl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate
CID 2485125
({[(4-Fluorophenyl)carbamoyl]methyl}(methyl)carbamoyl)methyl 3,6-dichloropyridine-2-carboxylate
CID 4852748
[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-methoxyethyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
CID 24979767
[(1-Phenylethyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
CID 4658528
[2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 2705773
[(2-Phenylethyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
CID 2705791
[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-methylpropyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
CID 24819811
(Benzylcarbamoyl)methyl 3,6-dichloropyridine-2-carboxylate
CID 2126077
(Cycloheptylcarbamoyl)methyl 3,6-dichloropyridine-2-carboxylate
CID 2705793
2-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate
CID 3651768
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 16289341
Ethyl 4-methyl-2-oxo-6-(((3,4,5-trichloropicolinoyl)oxy)methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 24978750

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3,6-dichloropyridine-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[(3,6-dichloropyridine-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 25163077) is ethyl 6-[(3,6-dichloropyridine-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[(3,6-dichloropyridine-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[(3,6-dichloropyridine-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)c2nc(Cl)ccc2Cl)NC(=O)NC1C.
What is the InChIKey of ethyl 6-[(3,6-dichloropyridine-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is FZMWZUHSVRJZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O5/c1-3-24-13(21)11-7(2)18-15(23)19-9(11)6-25-14(22)12-8(16)4-5-10(17)20-12/h4-5,7H,3,6H2,1-2H3,(H2,18,19,23).
What are the key properties of ethyl 6-[(3,6-dichloropyridine-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[(3,6-dichloropyridine-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 388.21 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3,6-dichloropyridine-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 25163077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).