5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C13H14N4O3 — CID 618666

IUPAC5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC/C(=N\c1ccccc1N)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H14N4O3/c1-2-8(15-9-6-4-3-5-7(9)14)10-11(18)16-13(20)17-12(10)19/h3-6H,2,14H2,1H3,(H3,16,17,18,19,20)/b15-8+
InChIKeySRDONJFKHLEVGL-OVCLIPMQSA-N
MW274.28 g/mol
LogP0.88
Rot. Bonds3

About 5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 618666) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID618666
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC/C(=N\c1ccccc1N)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H14N4O3/c1-2-8(15-9-6-4-3-5-7(9)14)10-11(18)16-13(20)17-12(10)19/h3-6H,2,14H2,1H3,(H3,16,17,18,19,20)/b15-8+
InChIKeySRDONJFKHLEVGL-OVCLIPMQSA-N
XLogP0.88
TPSA124.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 618666) is 5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione is CC/C(=N\c1ccccc1N)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is SRDONJFKHLEVGL-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-2-8(15-9-6-4-3-5-7(9)14)10-11(18)16-13(20)17-12(10)19/h3-6H,2,14H2,1H3,(H3,16,17,18,19,20)/b15-8+.
What are the key properties of 5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(2-aminophenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 618666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).