2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane

C22H26FN3O — CID 143774588

IUPAC2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane
SMILESCC.Cc1cn(C)/c(=N\Cc2ccccc2)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H20FN3O.C2H6/c1-15-13-23(2)20(22-12-16-6-4-3-5-7-16)24(19(15)25)14-17-8-10-18(21)11-9-17;1-2/h3-11,13H,12,14H2,1-2H3;1-2H3/b22-20+;
InChIKeyORTNNGODRDIOKA-QPNALZDCSA-N
MW367.47 g/mol
LogP3.81
Rot. Bonds4

About 2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane

2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane (PubChem CID 143774588) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane.

Molecular Properties

Compound Name2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane
PubChem CID143774588
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane
SMILESCC.Cc1cn(C)/c(=N\Cc2ccccc2)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H20FN3O.C2H6/c1-15-13-23(2)20(22-12-16-6-4-3-5-7-16)24(19(15)25)14-17-8-10-18(21)11-9-17;1-2/h3-11,13H,12,14H2,1-2H3;1-2H3/b22-20+;
InChIKeyORTNNGODRDIOKA-QPNALZDCSA-N
XLogP3.81
TPSA39.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylimino-3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinan-4-one
CID 58122433
5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 58122458
3-benzyl-1-[(4-fluorophenyl)methyl]-5,8-dimethylpyrimido[5,4-b]indole-2,4-dione
CID 20914487
1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea
CID 3231713
3-benzyl-5-iodo-1-methylpyrimidine-2,4-dione
CID 79785336
2-benzyl-5-chloro-3-methylisoquinolin-1-one
CID 170901947
1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid
CID 142731680
3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206721
3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione
CID 5302093
2-benzyl-8-fluoro-3-methylisoquinolin-1-one
CID 86080289
1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 59067461
1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrrole-2-carboxylic acid
CID 84616609

Frequently Asked Questions

What is the IUPAC name of 2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane?
The IUPAC name of 2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane (CID 143774588) is 2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane.
What is the SMILES notation for 2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane?
The canonical SMILES for 2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane is CC.Cc1cn(C)/c(=N\Cc2ccccc2)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane?
The InChIKey is ORTNNGODRDIOKA-QPNALZDCSA-N. The full InChI is InChI=1S/C20H20FN3O.C2H6/c1-15-13-23(2)20(22-12-16-6-4-3-5-7-16)24(19(15)25)14-17-8-10-18(21)11-9-17;1-2/h3-11,13H,12,14H2,1-2H3;1-2H3/b22-20+;.
What are the key properties of 2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane?
2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane has a molecular weight of 367.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane is sourced from PubChem (CID 143774588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).