[2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate

C15H16N4O5 — CID 2356847

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCN(C(=O)COC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccccc1
InChIInChI=1S/C15H16N4O5/c1-2-19(9-6-4-3-5-7-9)10(20)8-24-14(22)12-11(16)13(21)18-15(23)17-12/h3-7H,2,8,16H2,1H3,(H2,17,18,21,23)
InChIKeyUZYHGPCXMSFTKE-UHFFFAOYSA-N
MW332.32 g/mol
LogP-0.14
Rot. Bonds5

About [2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate

[2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 2356847) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID2356847
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCN(C(=O)COC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccccc1
InChIInChI=1S/C15H16N4O5/c1-2-19(9-6-4-3-5-7-9)10(20)8-24-14(22)12-11(16)13(21)18-15(23)17-12/h3-7H,2,8,16H2,1H3,(H2,17,18,21,23)
InChIKeyUZYHGPCXMSFTKE-UHFFFAOYSA-N
XLogP-0.14
TPSA138.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-Oxo-2-[phenyl(2-propanyl)amino](2S)-2-(carbamoylamino)propanoate
CID 2122397
[2-(4-Fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 4851584
[(Cyanomethyl)(phenyl)carbamoyl]methyl 3-[(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pentyl)carbamoyl]propanoate
CID 24982513
[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2100846
[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-(3-Fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2403639
[2-(N-ethylanilino)-2-oxoethyl] 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 24981849
[2-(N-methylanilino)-2-oxoethyl] 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-4-oxobutanoate
CID 24982921
Ethyl 2-[3-[[4-[[1-(2-ethoxy-2-oxoethyl)-2-oxo-3-pyridinyl]carbamoylamino]phenyl]carbamoylamino]-2-oxo-1-pyridinyl]acetate
CID 137654638
[2-(N-methylanilino)-2-oxoethyl] 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 24978814
(2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2350768

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 2356847) is [2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate is CCN(C(=O)COC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is UZYHGPCXMSFTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-2-19(9-6-4-3-5-7-9)10(20)8-24-14(22)12-11(16)13(21)18-15(23)17-12/h3-7H,2,8,16H2,1H3,(H2,17,18,21,23).
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
[2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 332.32 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 2356847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).