1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione

C18H15FN4O3 — CID 135538542

IUPAC1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1/C=N/Nc1ccccc1
InChIInChI=1S/C18H15FN4O3/c19-13-8-6-12(7-9-13)11-23-17(25)15(16(24)21-18(23)26)10-20-22-14-4-2-1-3-5-14/h1-10,22,25H,11H2,(H,21,24,26)/b20-10+
InChIKeyXGVDEJPNBPVQRG-KEBDBYFISA-N
MW354.34 g/mol
LogP1.88
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione

1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione (PubChem CID 135538542) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione
PubChem CID135538542
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1/C=N/Nc1ccccc1
InChIInChI=1S/C18H15FN4O3/c19-13-8-6-12(7-9-13)11-23-17(25)15(16(24)21-18(23)26)10-20-22-14-4-2-1-3-5-14/h1-10,22,25H,11H2,(H,21,24,26)/b20-10+
InChIKeyXGVDEJPNBPVQRG-KEBDBYFISA-N
XLogP1.88
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione (CID 135538542) is 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1/C=N/Nc1ccccc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione?
The InChIKey is XGVDEJPNBPVQRG-KEBDBYFISA-N. The full InChI is InChI=1S/C18H15FN4O3/c19-13-8-6-12(7-9-13)11-23-17(25)15(16(24)21-18(23)26)10-20-22-14-4-2-1-3-5-14/h1-10,22,25H,11H2,(H,21,24,26)/b20-10+.
What are the key properties of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione?
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione has a molecular weight of 354.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135538542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).