5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione

C19H16FN3O3 — CID 1379803

IUPAC5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(O)c(/C=N/Cc2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C19H16FN3O3/c1-12-6-2-5-9-16(12)23-18(25)14(17(24)22-19(23)26)11-21-10-13-7-3-4-8-15(13)20/h2-9,11,25H,10H2,1H3,(H,22,24,26)/b21-11+
InChIKeyHLDIJOGXJNIMES-SRZZPIQSSA-N
MW353.35 g/mol
LogP2.30
Rot. Bonds4

About 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione

5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 1379803) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
PubChem CID1379803
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(O)c(/C=N/Cc2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C19H16FN3O3/c1-12-6-2-5-9-16(12)23-18(25)14(17(24)22-19(23)26)11-21-10-13-7-3-4-8-15(13)20/h2-9,11,25H,10H2,1H3,(H,22,24,26)/b21-11+
InChIKeyHLDIJOGXJNIMES-SRZZPIQSSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-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 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione (CID 1379803) is 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione is Cc1ccccc1-n1c(O)c(/C=N/Cc2ccccc2F)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is HLDIJOGXJNIMES-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-12-6-2-5-9-16(12)23-18(25)14(17(24)22-19(23)26)11-21-10-13-7-3-4-8-15(13)20/h2-9,11,25H,10H2,1H3,(H,22,24,26)/b21-11+.
What are the key properties of 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 353.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 1379803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).