(2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate

C13H11N3O5 — CID 2350768

IUPAC(2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C13H11N3O5/c17-10-6-9(15-13(20)16-10)12(19)21-7-11(18)14-8-4-2-1-3-5-8/h1-6H,7H2,(H,14,18)(H2,15,16,17,20)
InChIKeyWQAYNCKULFLDCL-UHFFFAOYSA-N
MW289.25 g/mol
LogP-0.14
Rot. Bonds4

About (2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate

(2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 2350768) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID2350768
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC Name(2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C13H11N3O5/c17-10-6-9(15-13(20)16-10)12(19)21-7-11(18)14-8-4-2-1-3-5-8/h1-6H,7H2,(H,14,18)(H2,15,16,17,20)
InChIKeyWQAYNCKULFLDCL-UHFFFAOYSA-N
XLogP-0.14
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-Fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 4851584
(2-Anilino-2-oxoethyl) 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2488438
bis[2-(2-fluoroanilino)-2-oxoethyl] (E)-but-2-enedioate
CID 6293464
[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2100846
[2-(3-chloroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2100847
[2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2356847
[2-(3-fluoroanilino)-2-oxoethyl] (E)-but-2-enoate
CID 2407821
[2-(2-bromoanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2554041
[2-(3-nitroanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2554078
2-Oxo-N-phenyl-2H-pyran-6-carboxamide
CID 2739561
(2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2100676
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2100848

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of (2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 2350768) is (2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is WQAYNCKULFLDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c17-10-6-9(15-13(20)16-10)12(19)21-7-11(18)14-8-4-2-1-3-5-8/h1-6H,7H2,(H,14,18)(H2,15,16,17,20).
What are the key properties of (2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate?
(2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 289.25 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 2350768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).