4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride

C64H89ClF8N18O17Si — CID 160566844

IUPAC4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride
SMILESC1CCOC1.CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](F)C1O.CC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](F)C1OC(=O)CCN=[N+]=[N-].F.F.F.F.Nc1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2F)c(=O)n1.[N-]=[N+]=NCCC(=O)OC1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@H]1F
InChIInChI=1S/C16H19ClSi.C13H17FN6O4.C12H15FN6O5.C10H14FN3O3.C9H12FN3O4.C4H8O.4FH/c1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-2-7-11(24-9(21)3-5-17-19-16)10(14)12(23-7)20-6-4-8(15)18-13(20)22;13-9-10(24-8(21)1-3-16-18-15)6(5-20)23-11(9)19-4-2-7(14)17-12(19)22;1-2-5-8(15)7(11)9(17-5)14-4-3-6(12)13-10(14)16;10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16;1-2-4-5-3-1;;;;/h4-13H,1-3H3;4,6-7,10-12H,2-3,5H2,1H3,(H2,15,18,22);2,4,6,9-11,20H,1,3,5H2,(H2,14,17,22);3-5,7-9,15H,2H2,1H3,(H2,12,13,16);1-2,4,6-8,14-15H,3H2,(H2,11,12,16);1-4H2;4*1H/t;7-,10+,11?,12-;6-,9+,10?,11-;5-,7+,8?,9-;4-,6+,7?,8-;;;;;/m.1111...../s1
InChIKeyRAAKWVHIGKCRNI-YYQVMUTESA-N
MW1598.05 g/mol
LogP4.19
Rot. Bonds18

About 4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride

4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride (PubChem CID 160566844) has the molecular formula C64H89ClF8N18O17Si and a molecular weight of 1598.05 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride.

Molecular Properties

Compound Name4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride
PubChem CID160566844
Molecular FormulaC64H89ClF8N18O17Si
Molecular Weight1598.05 g/mol
Exact Mass1596.60
IUPAC Name4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride
SMILESC1CCOC1.CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](F)C1O.CC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](F)C1OC(=O)CCN=[N+]=[N-].F.F.F.F.Nc1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2F)c(=O)n1.[N-]=[N+]=NCCC(=O)OC1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@H]1F
InChIInChI=1S/C16H19ClSi.C13H17FN6O4.C12H15FN6O5.C10H14FN3O3.C9H12FN3O4.C4H8O.4FH/c1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-2-7-11(24-9(21)3-5-17-19-16)10(14)12(23-7)20-6-4-8(15)18-13(20)22;13-9-10(24-8(21)1-3-16-18-15)6(5-20)23-11(9)19-4-2-7(14)17-12(19)22;1-2-5-8(15)7(11)9(17-5)14-4-3-6(12)13-10(14)16;10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16;1-2-4-5-3-1;;;;/h4-13H,1-3H3;4,6-7,10-12H,2-3,5H2,1H3,(H2,15,18,22);2,4,6,9-11,20H,1,3,5H2,(H2,14,17,22);3-5,7-9,15H,2H2,1H3,(H2,12,13,16);1-2,4,6-8,14-15H,3H2,(H2,11,12,16);1-4H2;4*1H/t;7-,10+,11?,12-;6-,9+,10?,11-;5-,7+,8?,9-;4-,6+,7?,8-;;;;;/m.1111...../s1
InChIKeyRAAKWVHIGKCRNI-YYQVMUTESA-N
XLogP4.19
TPSA520.83 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds18
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001598.05
LogP ≤ 54.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride with MolForge

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Related Compounds

[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate
CID 174013427
4-amino-1-[(2R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 21117608
[5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] docosanoate
CID 21489997
[(2R,3R,4R,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(azidomethyl)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate
CID 11628430
[(2R,3S,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 2-aminoacetate
CID 66718959
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 101075208
[5-(4-amino-2-oxopyrimidin-1-yl)-3-benzoyloxy-4-(18F)fluorooxolan-2-yl]methyl benzoate
CID 69098034
4-amino-1-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59795629
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67175693

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride?
The IUPAC name of 4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride (CID 160566844) is 4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride.
What is the SMILES notation for 4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride?
The canonical SMILES for 4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride is C1CCOC1.CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](F)C1O.CC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](F)C1OC(=O)CCN=[N+]=[N-].F.F.F.F.Nc1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2F)c(=O)n1.[N-]=[N+]=NCCC(=O)OC1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@H]1F.
What is the InChIKey of 4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride?
The InChIKey is RAAKWVHIGKCRNI-YYQVMUTESA-N. The full InChI is InChI=1S/C16H19ClSi.C13H17FN6O4.C12H15FN6O5.C10H14FN3O3.C9H12FN3O4.C4H8O.4FH/c1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-2-7-11(24-9(21)3-5-17-19-16)10(14)12(23-7)20-6-4-8(15)18-13(20)22;13-9-10(24-8(21)1-3-16-18-15)6(5-20)23-11(9)19-4-2-7(14)17-12(19)22;1-2-5-8(15)7(11)9(17-5)14-4-3-6(12)13-10(14)16;10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16;1-2-4-5-3-1;;;;/h4-13H,1-3H3;4,6-7,10-12H,2-3,5H2,1H3,(H2,15,18,22);2,4,6,9-11,20H,1,3,5H2,(H2,14,17,22);3-5,7-9,15H,2H2,1H3,(H2,12,13,16);1-2,4,6-8,14-15H,3H2,(H2,11,12,16);1-4H2;4*1H/t;7-,10+,11?,12-;6-,9+,10?,11-;5-,7+,8?,9-;4-,6+,7?,8-;;;;;/m.1111...../s1.
What are the key properties of 4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride?
4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride has a molecular weight of 1598.05 g/mol, XLogP of 4.19, 18 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] 3-azidopropanoate;[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] 3-azidopropanoate;tert-butyl-chloro-diphenylsilane;oxolane;tetrahydrofluoride is sourced from PubChem (CID 160566844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).