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

C14H14FN3O3 — CID 1401183

IUPAC5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=N\c1cccc(F)c1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H14FN3O3/c1-8(16-10-6-4-5-9(15)7-10)11-12(19)17(2)14(21)18(3)13(11)20/h4-7,19H,1-3H3/b16-8+
InChIKeyDGMGWHPQISSMIV-LZYBPNLTSA-N
MW291.28 g/mol
LogP1.07
Rot. Bonds2

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

5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 1401183) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID1401183
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=N\c1cccc(F)c1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H14FN3O3/c1-8(16-10-6-4-5-9(15)7-10)11-12(19)17(2)14(21)18(3)13(11)20/h4-7,19H,1-3H3/b16-8+
InChIKeyDGMGWHPQISSMIV-LZYBPNLTSA-N
XLogP1.07
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.07
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-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 1401183) is 5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is C/C(=N\c1cccc(F)c1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is DGMGWHPQISSMIV-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-8(16-10-6-4-5-9(15)7-10)11-12(19)17(2)14(21)18(3)13(11)20/h4-7,19H,1-3H3/b16-8+.
What are the key properties of 5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 291.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 1401183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).