(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one

C19H19FN2O3 — CID 14460219

IUPAC(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one
SMILESCc1nc(C)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H19FN2O3/c1-11-17(8-7-16-9-15(23)10-18(24)25-16)19(22-12(2)21-11)13-3-5-14(20)6-4-13/h3-8,15-16,23H,9-10H2,1-2H3/b8-7+/t15-,16-/m1/s1
InChIKeyVGFPFOPNPWZGIC-XLBHYRNJSA-N
MW342.37 g/mol
LogP2.98
Rot. Bonds3

About (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one

(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one (PubChem CID 14460219) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one
PubChem CID14460219
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one
SMILESCc1nc(C)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H19FN2O3/c1-11-17(8-7-16-9-15(23)10-18(24)25-16)19(22-12(2)21-11)13-3-5-14(20)6-4-13/h3-8,15-16,23H,9-10H2,1-2H3/b8-7+/t15-,16-/m1/s1
InChIKeyVGFPFOPNPWZGIC-XLBHYRNJSA-N
XLogP2.98
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one with MolForge

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Related Compounds

Rosuvastatin
CID 446157
Rosuvastatin Lactone
CID 29918986
(E)-6-{2-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-pyrimidin-5-yl]-vinyl}-4-hydroxy-tetrahydro-pyran-2-one
CID 73348335
Rosuvastatin diastereomers
CID 6439133
N-Desmethyl rosuvastatin
CID 9956224
(E)-6-{2-[2-Cyclohexyl-4-(4-fluoro-phenyl)-6-isopropyl-pyrimidin-5-yl]-vinyl}-4-hydroxy-tetrahydro-pyran-2-one
CID 73352866
(E)-6-{2-[2,4-Bis-(4-fluoro-phenyl)-6-isopropyl-pyrimidin-5-yl]-vinyl}-4-hydroxy-tetrahydro-pyran-2-one
CID 73354373
(E)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
CID 6239562
Rosuvastatin(1-)
CID 9869776
(3S,5R,6E)-7-(4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid
CID 12136803
(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
CID 14460200
(E)-6-{2-[4-(4-Fluoro-phenyl)-6-isopropyl-2-phenyl-pyrimidin-5-yl]-vinyl}-4-hydroxy-tetrahydro-pyran-2-one
CID 14460221

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one (CID 14460219) is (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one is Cc1nc(C)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one?
The InChIKey is VGFPFOPNPWZGIC-XLBHYRNJSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-11-17(8-7-16-9-15(23)10-18(24)25-16)19(22-12(2)21-11)13-3-5-14(20)6-4-13/h3-8,15-16,23H,9-10H2,1-2H3/b8-7+/t15-,16-/m1/s1.
What are the key properties of (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one?
(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one has a molecular weight of 342.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-dimethylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 14460219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).