1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione

C19H24FN3O3 — CID 3718900

IUPAC1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione
SMILESCCCCCCCC/N=C/c1c(O)n(-c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24FN3O3/c1-2-3-4-5-6-7-12-21-13-16-17(24)22-19(26)23(18(16)25)15-10-8-14(20)9-11-15/h8-11,13,25H,2-7,12H2,1H3,(H,22,24,26)/b21-13+
InChIKeyOYNSASPFOVJGAQ-FYJGNVAPSA-N
MW361.42 g/mol
LogP3.15
Rot. Bonds9

About 1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione

1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione (PubChem CID 3718900) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione
PubChem CID3718900
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione
SMILESCCCCCCCC/N=C/c1c(O)n(-c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24FN3O3/c1-2-3-4-5-6-7-12-21-13-16-17(24)22-19(26)23(18(16)25)15-10-8-14(20)9-11-15/h8-11,13,25H,2-7,12H2,1H3,(H,22,24,26)/b21-13+
InChIKeyOYNSASPFOVJGAQ-FYJGNVAPSA-N
XLogP3.15
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione (CID 3718900) is 1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione is CCCCCCCC/N=C/c1c(O)n(-c2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione?
The InChIKey is OYNSASPFOVJGAQ-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-2-3-4-5-6-7-12-21-13-16-17(24)22-19(26)23(18(16)25)15-10-8-14(20)9-11-15/h8-11,13,25H,2-7,12H2,1H3,(H,22,24,26)/b21-13+.
What are the key properties of 1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione?
1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione has a molecular weight of 361.42 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3718900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).