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

C13H14N4O3 — CID 135451679

IUPAC5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC/C(=N\Nc1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H14N4O3/c1-2-9(17-16-8-6-4-3-5-7-8)10-11(18)14-13(20)15-12(10)19/h3-7,16H,2H2,1H3,(H3,14,15,18,19,20)/b17-9+
InChIKeyUIXRVXSAKDGNCP-RQZCQDPDSA-N
MW274.28 g/mol
LogP1.00
Rot. Bonds4

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

5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 135451679) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID135451679
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC/C(=N\Nc1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H14N4O3/c1-2-9(17-16-8-6-4-3-5-7-8)10-11(18)14-13(20)15-12(10)19/h3-7,16H,2H2,1H3,(H3,14,15,18,19,20)/b17-9+
InChIKeyUIXRVXSAKDGNCP-RQZCQDPDSA-N
XLogP1.00
TPSA110.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[1-(2-aminophenylamino)propylidene]-
CID 618666
5-{1-[(2-aminophenyl)amino]ethylidene}-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2839918
(5Z)-2,6-dihydroxy-5-[1-(2-phenylhydrazinyl)ethylidene]pyrimidin-4(5H)-one
CID 135420785
(5E)-6-hydroxy-3-phenyl-5-[1-(2-phenylhydrazinyl)propylidene]pyrimidine-2,4(3H,5H)-dione
CID 135450537
5-[(1E)-1-(2-methyl-2-phenylhydrazinylidene)ethyl]pyrimidine-2,4,6-triol
CID 135558986
(5E)-6-hydroxy-3-phenyl-5-[1-(2-phenylhydrazinyl)ethylidene]pyrimidine-2,4(3H,5H)-dione
CID 135630189
5-[(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
CID 351403
5-methyl-6-[(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
CID 267391
5-[(E)-N-anilino-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 5368796
(5E)-3-benzyl-6-hydroxy-5-[1-(2-phenylhydrazinyl)ethylidene]pyrimidine-2,4(3H,5H)-dione
CID 135398881
5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 135440741
1,3-dimethyl-5-[(2-phenylhydrazino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 135472847

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 135451679) is 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione is CC/C(=N\Nc1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is UIXRVXSAKDGNCP-RQZCQDPDSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-2-9(17-16-8-6-4-3-5-7-8)10-11(18)14-13(20)15-12(10)19/h3-7,16H,2H2,1H3,(H3,14,15,18,19,20)/b17-9+.
What are the key properties of 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135451679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).