1-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione

C19H16FN3O3 — CID 3270592

IUPAC1-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESC/C(=N\c1cccc(F)c1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H16FN3O3/c1-12(21-15-9-5-8-14(20)10-15)16-17(24)22-19(26)23(18(16)25)11-13-6-3-2-4-7-13/h2-10,25H,11H2,1H3,(H,22,24,26)/b21-12+
InChIKeyJEKKYXICDUCPJD-CIAFOILYSA-N
MW353.35 g/mol
LogP2.57
Rot. Bonds4

About 1-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione

1-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 3270592) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID3270592
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name1-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESC/C(=N\c1cccc(F)c1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H16FN3O3/c1-12(21-15-9-5-8-14(20)10-15)16-17(24)22-19(26)23(18(16)25)11-13-6-3-2-4-7-13/h2-10,25H,11H2,1H3,(H,22,24,26)/b21-12+
InChIKeyJEKKYXICDUCPJD-CIAFOILYSA-N
XLogP2.57
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-benzyl-5-[N-(3-fluorophenyl)-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-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 3270592) is 1-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione is C/C(=N\c1cccc(F)c1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is JEKKYXICDUCPJD-CIAFOILYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-12(21-15-9-5-8-14(20)10-15)16-17(24)22-19(26)23(18(16)25)11-13-6-3-2-4-7-13/h2-10,25H,11H2,1H3,(H,22,24,26)/b21-12+.
What are the key properties of 1-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 353.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3270592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).