5-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C19H16FN3O3 — CID 1385378

IUPAC5-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C(=N/c2ccc(F)cc2)c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H16FN3O3/c1-22-17(24)15(18(25)23(2)19(22)26)16(12-6-4-3-5-7-12)21-14-10-8-13(20)9-11-14/h3-11,24H,1-2H3/b21-16+
InChIKeyQIJPENNTSPPEIT-LTGZKZEYSA-N
MW353.35 g/mol
LogP2.10
Rot. Bonds3

About 5-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 1385378) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 5-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID1385378
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name5-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C(=N/c2ccc(F)cc2)c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H16FN3O3/c1-22-17(24)15(18(25)23(2)19(22)26)16(12-6-4-3-5-7-12)21-14-10-8-13(20)9-11-14/h3-11,24H,1-2H3/b21-16+
InChIKeyQIJPENNTSPPEIT-LTGZKZEYSA-N
XLogP2.10
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 1385378) is 5-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(/C(=N/c2ccc(F)cc2)c2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QIJPENNTSPPEIT-LTGZKZEYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-22-17(24)15(18(25)23(2)19(22)26)16(12-6-4-3-5-7-12)21-14-10-8-13(20)9-11-14/h3-11,24H,1-2H3/b21-16+.
What are the key properties of 5-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 353.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 1385378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).