4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one

C17H30FN3O4Si — CID 178041211

IUPAC4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
SMILESCC[C@]1(CO)O[C@@H](n2cc(F)c(N)nc2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30FN3O4Si/c1-7-17(10-22)12(25-26(5,6)16(2,3)4)8-13(24-17)21-9-11(18)14(19)20-15(21)23/h9,12-13,22H,7-8,10H2,1-6H3,(H2,19,20,23)/t12-,13+,17+/m0/s1
InChIKeyTVJIAIMVRZLAOF-OGHNNQOOSA-N
MW387.53 g/mol
LogP2.41
Rot. Bonds5

About 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one

4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one (PubChem CID 178041211) has the molecular formula C17H30FN3O4Si and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
PubChem CID178041211
Molecular FormulaC17H30FN3O4Si
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC Name4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
SMILESCC[C@]1(CO)O[C@@H](n2cc(F)c(N)nc2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30FN3O4Si/c1-7-17(10-22)12(25-26(5,6)16(2,3)4)8-13(24-17)21-9-11(18)14(19)20-15(21)23/h9,12-13,22H,7-8,10H2,1-6H3,(H2,19,20,23)/t12-,13+,17+/m0/s1
InChIKeyTVJIAIMVRZLAOF-OGHNNQOOSA-N
XLogP2.41
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one
CID 174058726
4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one
CID 57065528
1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57148783
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101256369
4-amino-1-[(2R,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-5-(fluoromethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
CID 169068509
4-amino-5-fluoro-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one;cyclopropane
CID 169190517
4-amino-5-fluoro-1-[(2R,5S)-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl]pyrimidin-2-one
CID 169190403
4-amino-1-[(2R,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
CID 169068372
1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11574799
4-amino-5-fluoro-1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70294697
[(2R,3S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethenyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
CID 178041207
4-amino-1-[(2R,3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(chloromethyl)-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one
CID 174114269

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one (CID 178041211) is 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one is CC[C@]1(CO)O[C@@H](n2cc(F)c(N)nc2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one?
The InChIKey is TVJIAIMVRZLAOF-OGHNNQOOSA-N. The full InChI is InChI=1S/C17H30FN3O4Si/c1-7-17(10-22)12(25-26(5,6)16(2,3)4)8-13(24-17)21-9-11(18)14(19)20-15(21)23/h9,12-13,22H,7-8,10H2,1-6H3,(H2,19,20,23)/t12-,13+,17+/m0/s1.
What are the key properties of 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one?
4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one has a molecular weight of 387.53 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one is sourced from PubChem (CID 178041211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).