5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione

C18H14FN3O3 — CID 917399

IUPAC5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
SMILESC/C(=N\c1ccc(F)cc1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H14FN3O3/c1-11(20-13-9-7-12(19)8-10-13)15-16(23)21-18(25)22(17(15)24)14-5-3-2-4-6-14/h2-10,24H,1H3,(H,21,23,25)/b20-11+
InChIKeyGKGIOICIIJZWKQ-RGVLZGJSSA-N
MW339.33 g/mol
LogP2.51
Rot. Bonds3

About 5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione

5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione (PubChem CID 917399) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
PubChem CID917399
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
SMILESC/C(=N\c1ccc(F)cc1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H14FN3O3/c1-11(20-13-9-7-12(19)8-10-13)15-16(23)21-18(25)22(17(15)24)14-5-3-2-4-6-14/h2-10,24H,1H3,(H,21,23,25)/b20-11+
InChIKeyGKGIOICIIJZWKQ-RGVLZGJSSA-N
XLogP2.51
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.51
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-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione (CID 917399) is 5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione is C/C(=N\c1ccc(F)cc1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The InChIKey is GKGIOICIIJZWKQ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-11(20-13-9-7-12(19)8-10-13)15-16(23)21-18(25)22(17(15)24)14-5-3-2-4-6-14/h2-10,24H,1H3,(H,21,23,25)/b20-11+.
What are the key properties of 5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione has a molecular weight of 339.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 917399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).