4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one

C22H42FN3O4Si2 — CID 86648133

IUPAC4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one
SMILESCC(C)(C)[Si](C)(C)C(O)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@]1(O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42FN3O4Si2/c1-19(2,3)31(8,9)16(27)15-22(29,32(10,11)20(4,5)6)21(7,23)17(30-15)26-13-12-14(24)25-18(26)28/h12-13,15-17,27,29H,1-11H3,(H2,24,25,28)/t15-,16?,17-,21+,22+/m1/s1
InChIKeyHYTQXMQZRICOCO-GQWVWUSHSA-N
MW487.77 g/mol
LogP3.64
Rot. Bonds4

About 4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one (PubChem CID 86648133) has the molecular formula C22H42FN3O4Si2 and a molecular weight of 487.77 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one
PubChem CID86648133
Molecular FormulaC22H42FN3O4Si2
Molecular Weight487.77 g/mol
Exact Mass487.27
IUPAC Name4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one
SMILESCC(C)(C)[Si](C)(C)C(O)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@]1(O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42FN3O4Si2/c1-19(2,3)31(8,9)16(27)15-22(29,32(10,11)20(4,5)6)21(7,23)17(30-15)26-13-12-14(24)25-18(26)28/h12-13,15-17,27,29H,1-11H3,(H2,24,25,28)/t15-,16?,17-,21+,22+/m1/s1
InChIKeyHYTQXMQZRICOCO-GQWVWUSHSA-N
XLogP3.64
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.77
LogP ≤ 53.64
H-Bond Donors ≤ 53
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-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 59504127
4-amino-1-[3,3-difluoro-5-(1-hydroxypropyl)oxolan-2-yl]pyrimidin-2-one
CID 91356590
4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one
CID 71083164
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxybutyl)oxolan-2-yl]pyrimidin-2-one
CID 59504102
4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 58855695
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxy-2-naphthalen-1-ylethyl)-4-(naphthalen-1-ylmethyl)oxolan-2-yl]pyrimidin-2-one
CID 69172425
4-amino-1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 58364591
4-amino-1-(3,3-difluoro-4-hydroxy-5-methoxyoxolan-2-yl)pyrimidin-2-one
CID 21029450
4-amino-1-[(2R,3S,4R,5R)-4-deuterio-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 175725100
[(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid
CID 66967437
2-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-(2-benzoyloxycarbonylphenyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]-hydroxymethyl]benzoic acid
CID 174772725
4-amino-1-[5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 123389175

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one (CID 86648133) is 4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one is CC(C)(C)[Si](C)(C)C(O)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@]1(O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one?
The InChIKey is HYTQXMQZRICOCO-GQWVWUSHSA-N. The full InChI is InChI=1S/C22H42FN3O4Si2/c1-19(2,3)31(8,9)16(27)15-22(29,32(10,11)20(4,5)6)21(7,23)17(30-15)26-13-12-14(24)25-18(26)28/h12-13,15-17,27,29H,1-11H3,(H2,24,25,28)/t15-,16?,17-,21+,22+/m1/s1.
What are the key properties of 4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one has a molecular weight of 487.77 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 86648133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).