5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione

C19H16FN3O3 — CID 1379791

IUPAC5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(/C=N/Cc3ccc(F)cc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H16FN3O3/c1-12-3-2-4-15(9-12)23-18(25)16(17(24)22-19(23)26)11-21-10-13-5-7-14(20)8-6-13/h2-9,11,25H,10H2,1H3,(H,22,24,26)/b21-11+
InChIKeySWECXDXQTJTLTD-SRZZPIQSSA-N
MW353.35 g/mol
LogP2.30
Rot. Bonds4

About 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione

5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione (PubChem CID 1379791) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione
PubChem CID1379791
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(O)c(/C=N/Cc3ccc(F)cc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H16FN3O3/c1-12-3-2-4-15(9-12)23-18(25)16(17(24)22-19(23)26)11-21-10-13-5-7-14(20)8-6-13/h2-9,11,25H,10H2,1H3,(H,22,24,26)/b21-11+
InChIKeySWECXDXQTJTLTD-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione (CID 1379791) is 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione is Cc1cccc(-n2c(O)c(/C=N/Cc3ccc(F)cc3)c(=O)[nH]c2=O)c1.
What is the InChIKey of 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is SWECXDXQTJTLTD-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-12-3-2-4-15(9-12)23-18(25)16(17(24)22-19(23)26)11-21-10-13-5-7-14(20)8-6-13/h2-9,11,25H,10H2,1H3,(H,22,24,26)/b21-11+.
What are the key properties of 5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione?
5-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-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-[(4-fluorophenyl)methyliminomethyl]-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 1379791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).