[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate

C13H9Cl3N4O5 — CID 2357417

IUPAC[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESNc1c(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H9Cl3N4O5/c14-4-1-5(15)9(6(16)2-4)18-7(21)3-25-12(23)10-8(17)11(22)20-13(24)19-10/h1-2H,3,17H2,(H,18,21)(H2,19,20,22,24)
InChIKeyVWUBIYKGARUIIS-UHFFFAOYSA-N
MW407.60 g/mol
LogP1.40
Rot. Bonds4

About [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate

[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 2357417) has the molecular formula C13H9Cl3N4O5 and a molecular weight of 407.60 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID2357417
Molecular FormulaC13H9Cl3N4O5
Molecular Weight407.60 g/mol
Exact Mass405.96
IUPAC Name[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESNc1c(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H9Cl3N4O5/c14-4-1-5(15)9(6(16)2-4)18-7(21)3-25-12(23)10-8(17)11(22)20-13(24)19-10/h1-2H,3,17H2,(H,18,21)(H2,19,20,22,24)
InChIKeyVWUBIYKGARUIIS-UHFFFAOYSA-N
XLogP1.40
TPSA147.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 23938766
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate
CID 2624996
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] pyridine-4-carboxylate
CID 2347807
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-amino-4-chlorobenzoate
CID 7764963
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-aminonaphthalene-2-carboxylate
CID 23904784
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-methylbenzoate
CID 7718015
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] (E)-but-2-enoate
CID 7699128
2-(4-aminophenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 61027526
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-(difluoromethylsulfonyl)benzoate
CID 16513327
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469412
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-methyl-1,3-thiazole-5-carboxylate
CID 55769194
2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide
CID 112604411

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 2357417) is [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate is Nc1c(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)[nH]c(=O)[nH]c1=O.
What is the InChIKey of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is VWUBIYKGARUIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N4O5/c14-4-1-5(15)9(6(16)2-4)18-7(21)3-25-12(23)10-8(17)11(22)20-13(24)19-10/h1-2H,3,17H2,(H,18,21)(H2,19,20,22,24).
What are the key properties of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 407.60 g/mol, XLogP of 1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 2357417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).