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

C20H20N4O4 — CID 135450481

IUPAC5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCC/C(=N\Nc1ccccc1)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H20N4O4/c1-3-16(23-22-13-7-5-4-6-8-13)17-18(25)21-20(27)24(19(17)26)14-9-11-15(28-2)12-10-14/h4-12,22,26H,3H2,1-2H3,(H,21,25,27)/b23-16+
InChIKeyOQKUUDCFRSOKNR-XQNSMLJCSA-N
MW380.40 g/mol
LogP2.47
Rot. Bonds6

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

5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 135450481) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID135450481
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCC/C(=N\Nc1ccccc1)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H20N4O4/c1-3-16(23-22-13-7-5-4-6-8-13)17-18(25)21-20(27)24(19(17)26)14-9-11-15(28-2)12-10-14/h4-12,22,26H,3H2,1-2H3,(H,21,25,27)/b23-16+
InChIKeyOQKUUDCFRSOKNR-XQNSMLJCSA-N
XLogP2.47
TPSA108.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (CID 135450481) is 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is CC/C(=N\Nc1ccccc1)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is OQKUUDCFRSOKNR-XQNSMLJCSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-3-16(23-22-13-7-5-4-6-8-13)17-18(25)21-20(27)24(19(17)26)14-9-11-15(28-2)12-10-14/h4-12,22,26H,3H2,1-2H3,(H,21,25,27)/b23-16+.
What are the key properties of 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 380.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-N-anilino-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 135450481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).