6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one

C12H21F2N3O4Si — CID 152781328

IUPAC6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one
SMILESC[Si](C)(C)C1(N)C=CN([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)C(=O)N1
InChIInChI=1S/C12H21F2N3O4Si/c1-22(2,3)11(15)4-5-17(10(20)16-11)9-12(13,14)8(19)7(6-18)21-9/h4-5,7-9,18-19H,6,15H2,1-3H3,(H,16,20)/t7-,8-,9-,11?/m1/s1
InChIKeyOYLZBQWGDMWJDG-YIPHXTPMSA-N
MW337.40 g/mol
LogP-0.23
Rot. Bonds3

About 6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one

6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one (PubChem CID 152781328) has the molecular formula C12H21F2N3O4Si and a molecular weight of 337.40 g/mol. Its IUPAC name is 6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one
PubChem CID152781328
Molecular FormulaC12H21F2N3O4Si
Molecular Weight337.40 g/mol
Exact Mass337.13
IUPAC Name6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one
SMILESC[Si](C)(C)C1(N)C=CN([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)C(=O)N1
InChIInChI=1S/C12H21F2N3O4Si/c1-22(2,3)11(15)4-5-17(10(20)16-11)9-12(13,14)8(19)7(6-18)21-9/h4-5,7-9,18-19H,6,15H2,1-3H3,(H,16,20)/t7-,8-,9-,11?/m1/s1
InChIKeyOYLZBQWGDMWJDG-YIPHXTPMSA-N
XLogP-0.23
TPSA108.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
CID 162572960
tert-butyl 6-amino-3-[(2R,4R,5R)-4-carboxyoxy-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1H-pyrimidine-6-carboxylate
CID 175949031
4-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-5-one
CID 170898620
(5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
CID 157058662
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](213C,1,3-15N2)pyrimidin-2-one
CID 129010189
4-amino-1-[(2R,4R,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 6093357
4-amino-1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 11054511
[(9Z,12Z)-octadeca-9,12-dienyl] N'-[3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,6-dihydropyrimidin-6-yl]carbamimidate
CID 59516348
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 117072635
2'-Deoxy-2',2'-difluorouridine-13C,15N2
CID 71434085
1-[(2R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 162572157
1-[(2R,4R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 129150342

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one (CID 152781328) is 6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one is C[Si](C)(C)C1(N)C=CN([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)C(=O)N1.
What is the InChIKey of 6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one?
The InChIKey is OYLZBQWGDMWJDG-YIPHXTPMSA-N. The full InChI is InChI=1S/C12H21F2N3O4Si/c1-22(2,3)11(15)4-5-17(10(20)16-11)9-12(13,14)8(19)7(6-18)21-9/h4-5,7-9,18-19H,6,15H2,1-3H3,(H,16,20)/t7-,8-,9-,11?/m1/s1.
What are the key properties of 6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one?
6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one has a molecular weight of 337.40 g/mol, XLogP of -0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one is sourced from PubChem (CID 152781328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).