1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione

C21H20FN3O4 — CID 1491924

IUPAC1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCOc1ccccc1-n1c(O)c(/C(C)=N/Cc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H20FN3O4/c1-3-29-17-7-5-4-6-16(17)25-20(27)18(19(26)24-21(25)28)13(2)23-12-14-8-10-15(22)11-9-14/h4-11,27H,3,12H2,1-2H3,(H,24,26,28)/b23-13+
InChIKeyHQLZCEMTJOELIJ-YDZHTSKRSA-N
MW397.41 g/mol
LogP2.78
Rot. Bonds6

About 1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione

1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 1491924) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID1491924
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCOc1ccccc1-n1c(O)c(/C(C)=N/Cc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H20FN3O4/c1-3-29-17-7-5-4-6-16(17)25-20(27)18(19(26)24-21(25)28)13(2)23-12-14-8-10-15(22)11-9-14/h4-11,27H,3,12H2,1-2H3,(H,24,26,28)/b23-13+
InChIKeyHQLZCEMTJOELIJ-YDZHTSKRSA-N
XLogP2.78
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 1491924) is 1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione is CCOc1ccccc1-n1c(O)c(/C(C)=N/Cc2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is HQLZCEMTJOELIJ-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-3-29-17-7-5-4-6-16(17)25-20(27)18(19(26)24-21(25)28)13(2)23-12-14-8-10-15(22)11-9-14/h4-11,27H,3,12H2,1-2H3,(H,24,26,28)/b23-13+.
What are the key properties of 1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 397.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 1491924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).