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Cedazuridine

C9H14F2N2O5 — CID 25267009

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(4R)-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
SMILESO=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F
InChIInChI=1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5-,6-,7-/m1/s1
InChIKeyVUDZSIYXZUYWSC-DBRKOABJSA-N
MW268.22 g/mol
LogP-1.57
Rot. Bonds2

About Cedazuridine

Cedazuridine (PubChem CID 25267009) has the molecular formula C9H14F2N2O5 and a molecular weight of 268.22 g/mol. Its IUPAC name is (4R)-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one.

Molecular Properties

Compound NameCedazuridine
PubChem CID25267009
Molecular FormulaC9H14F2N2O5
Molecular Weight268.22 g/mol
Exact Mass268.09
IUPAC Name(4R)-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
SMILESO=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F
InChIInChI=1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5-,6-,7-/m1/s1
InChIKeyVUDZSIYXZUYWSC-DBRKOABJSA-N
XLogP-1.57
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Tetrahydrouridine
CID 29243
(4R)-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
CID 25267373
(4R)-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
CID 25267375
5-Fluoro-5,6-dihydro-deoxyuridine
CID 71302534
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-tetrahydro-pyrimidin-2-one
CID 22796909
Cedazuridine Impurity 3
CID 25267372
(4S)-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
CID 25267374
(4S)-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
CID 25267376

Frequently Asked Questions

What is the IUPAC name of Cedazuridine?
The IUPAC name of Cedazuridine (CID 25267009) is (4R)-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one.
What is the SMILES notation for Cedazuridine?
The canonical SMILES for Cedazuridine is O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F.
What is the InChIKey of Cedazuridine?
The InChIKey is VUDZSIYXZUYWSC-DBRKOABJSA-N. The full InChI is InChI=1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5-,6-,7-/m1/s1.
What are the key properties of Cedazuridine?
Cedazuridine has a molecular weight of 268.22 g/mol, XLogP of -1.57, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Cedazuridine is sourced from PubChem (CID 25267009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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