1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one

C22H20FN3O5 — CID 157253107

IUPAC1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one
SMILESO=C(Cc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)n1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C22H20FN3O5/c23-19-20(29)18(12-27)31-21(19)26-10-9-14(24-22(26)30)11-17(28)16-8-4-7-15(25-16)13-5-2-1-3-6-13/h1-10,18-21,27,29H,11-12H2/t18-,19-,20-,21-/m1/s1
InChIKeyAWOJEWMYIRMTCE-XRXFAXGQSA-N
MW425.42 g/mol
LogP1.32
Rot. Bonds6

About 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one

1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one (PubChem CID 157253107) has the molecular formula C22H20FN3O5 and a molecular weight of 425.42 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one
PubChem CID157253107
Molecular FormulaC22H20FN3O5
Molecular Weight425.42 g/mol
Exact Mass425.14
IUPAC Name1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one
SMILESO=C(Cc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)n1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C22H20FN3O5/c23-19-20(29)18(12-27)31-21(19)26-10-9-14(24-22(26)30)11-17(28)16-8-4-7-15(25-16)13-5-2-1-3-6-13/h1-10,18-21,27,29H,11-12H2/t18-,19-,20-,21-/m1/s1
InChIKeyAWOJEWMYIRMTCE-XRXFAXGQSA-N
XLogP1.32
TPSA114.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one
CID 162204381
benzyl 2-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetate
CID 159018104
1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 122450152
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
CID 142312351
CID 176801475
CID 176801475
5-amino-N-[1-[(3S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pyridine-2-carboxamide
CID 139364463
1-[(2R,4S,5S,6R)-3,4-difluoro-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-4-(propan-2-ylamino)pyrimidin-2-one
CID 174025289
prop-2-enyl N-[1-[(2R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 91452016
4-amino-1-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59795629
4-anilino-1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 58192982
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 13161410
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 66944209

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one (CID 157253107) is 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one is O=C(Cc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)n1)c1cccc(-c2ccccc2)n1.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one?
The InChIKey is AWOJEWMYIRMTCE-XRXFAXGQSA-N. The full InChI is InChI=1S/C22H20FN3O5/c23-19-20(29)18(12-27)31-21(19)26-10-9-14(24-22(26)30)11-17(28)16-8-4-7-15(25-16)13-5-2-1-3-6-13/h1-10,18-21,27,29H,11-12H2/t18-,19-,20-,21-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one?
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one has a molecular weight of 425.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[2-oxo-2-(6-phenyl-2-pyridinyl)ethyl]pyrimidin-2-one is sourced from PubChem (CID 157253107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).