(4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C22H17FN2O3 — CID 7860358

IUPAC(4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccccc2)[C@H](c2ccc(-c3ccc(F)cc3)o2)NC(=O)N1
InChIInChI=1S/C22H17FN2O3/c1-13-19(21(26)15-5-3-2-4-6-15)20(25-22(27)24-13)18-12-11-17(28-18)14-7-9-16(23)10-8-14/h2-12,20H,1H3,(H2,24,25,27)/t20-/m0/s1
InChIKeyNBUWDJMTKZMXBE-FQEVSTJZSA-N
MW376.39 g/mol
LogP4.60
Rot. Bonds4

About (4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

(4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 7860358) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is (4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID7860358
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name(4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccccc2)[C@H](c2ccc(-c3ccc(F)cc3)o2)NC(=O)N1
InChIInChI=1S/C22H17FN2O3/c1-13-19(21(26)15-5-3-2-4-6-15)20(25-22(27)24-13)18-12-11-17(28-18)14-7-9-16(23)10-8-14/h2-12,20H,1H3,(H2,24,25,27)/t20-/m0/s1
InChIKeyNBUWDJMTKZMXBE-FQEVSTJZSA-N
XLogP4.60
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

methyl (4S)-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7818072
(4R)-5-benzoyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 701290
ethyl (4R)-6-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 95185342
(4R)-5-benzoyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 745700
(4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7798146
(4R)-5-benzoyl-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 7720649
(4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7714979
(4R)-5-benzoyl-6-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7817242
ethyl 4-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2726164
methyl 4-[5-(2-chlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2874827
ethyl (4R)-4-[5-(2-chlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1401367
(4R)-5-benzoyl-4-(2,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7800722

Frequently Asked Questions

What is the IUPAC name of (4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 7860358) is (4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(-c3ccc(F)cc3)o2)NC(=O)N1.
What is the InChIKey of (4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is NBUWDJMTKZMXBE-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-13-19(21(26)15-5-3-2-4-6-15)20(25-22(27)24-13)18-12-11-17(28-18)14-7-9-16(23)10-8-14/h2-12,20H,1H3,(H2,24,25,27)/t20-/m0/s1.
What are the key properties of (4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
(4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 376.39 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-benzoyl-4-[5-(4-fluorophenyl)furan-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 7860358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).