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

C15H16FN3O3 — CID 1399575

IUPAC5-[C-ethyl-N-(4-fluorophenyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCC/C(=N\c1ccc(F)cc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H16FN3O3/c1-4-11(17-10-7-5-9(16)6-8-10)12-13(20)18(2)15(22)19(3)14(12)21/h5-8,20H,4H2,1-3H3/b17-11+
InChIKeyMODHLXHFTSUXCP-GZTJUZNOSA-N
MW305.31 g/mol
LogP1.46
Rot. Bonds3

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

5-[C-ethyl-N-(4-fluorophenyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 1399575) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 5-[C-ethyl-N-(4-fluorophenyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[C-ethyl-N-(4-fluorophenyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID1399575
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name5-[C-ethyl-N-(4-fluorophenyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCC/C(=N\c1ccc(F)cc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H16FN3O3/c1-4-11(17-10-7-5-9(16)6-8-10)12-13(20)18(2)15(22)19(3)14(12)21/h5-8,20H,4H2,1-3H3/b17-11+
InChIKeyMODHLXHFTSUXCP-GZTJUZNOSA-N
XLogP1.46
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.46
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-[C-ethyl-N-(4-fluorophenyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[C-ethyl-N-(4-fluorophenyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 1399575) is 5-[C-ethyl-N-(4-fluorophenyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[C-ethyl-N-(4-fluorophenyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[C-ethyl-N-(4-fluorophenyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is CC/C(=N\c1ccc(F)cc1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[C-ethyl-N-(4-fluorophenyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is MODHLXHFTSUXCP-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-4-11(17-10-7-5-9(16)6-8-10)12-13(20)18(2)15(22)19(3)14(12)21/h5-8,20H,4H2,1-3H3/b17-11+.
What are the key properties of 5-[C-ethyl-N-(4-fluorophenyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[C-ethyl-N-(4-fluorophenyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 305.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-ethyl-N-(4-fluorophenyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 1399575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).