4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one

C19H28FN3O6 — CID 10409486

IUPAC4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2O[C@H](COC3CCCCO3)[C@@H](OC3CCCCO3)[C@H]2F)c(=O)n1
InChIInChI=1S/C19H28FN3O6/c20-16-17(29-15-6-2-4-10-26-15)12(11-27-14-5-1-3-9-25-14)28-18(16)23-8-7-13(21)22-19(23)24/h7-8,12,14-18H,1-6,9-11H2,(H2,21,22,24)/t12-,14?,15?,16-,17-,18-/m1/s1
InChIKeyWSXZMMPZPPEZJC-FAXDORRXSA-N
MW413.45 g/mol
LogP1.52
Rot. Bonds6

About 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 10409486) has the molecular formula C19H28FN3O6 and a molecular weight of 413.45 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID10409486
Molecular FormulaC19H28FN3O6
Molecular Weight413.45 g/mol
Exact Mass413.20
IUPAC Name4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2O[C@H](COC3CCCCO3)[C@@H](OC3CCCCO3)[C@H]2F)c(=O)n1
InChIInChI=1S/C19H28FN3O6/c20-16-17(29-15-6-2-4-10-26-15)12(11-27-14-5-1-3-9-25-14)28-18(16)23-8-7-13(21)22-19(23)24/h7-8,12,14-18H,1-6,9-11H2,(H2,21,22,24)/t12-,14?,15?,16-,17-,18-/m1/s1
InChIKeyWSXZMMPZPPEZJC-FAXDORRXSA-N
XLogP1.52
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one with MolForge

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Related Compounds

4-chloro-7-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 23518324
4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 59035820
[5-(4-amino-2-oxopyrimidin-1-yl)-3-benzoyloxy-4-(18F)fluorooxolan-2-yl]methyl benzoate
CID 69098034
N-[9-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 135545907
ethyl 3-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylate
CID 52952607
6-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]-11-thia-6,7,10-triazatricyclo[6.4.1.04,13]trideca-1(13),4,7,9-tetraene
CID 156579697
4-amino-1-[4-[cyclohexyl(dimethyl)silyl]oxy-5-[[cyclohexyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 10007013
4-amino-1-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59795629
[(2R,3R,4R,5R)-5-[4-amino-2-[4-(diaminomethylideneamino)butylimino]pyrimidin-1-yl]-4-(oxan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 164801968
(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-3-ol
CID 24866771
4-amino-1-[3-hydroxy-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10407916
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
CID 59837284

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 10409486) is 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one is Nc1ccn([C@@H]2O[C@H](COC3CCCCO3)[C@@H](OC3CCCCO3)[C@H]2F)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is WSXZMMPZPPEZJC-FAXDORRXSA-N. The full InChI is InChI=1S/C19H28FN3O6/c20-16-17(29-15-6-2-4-10-26-15)12(11-27-14-5-1-3-9-25-14)28-18(16)23-8-7-13(21)22-19(23)24/h7-8,12,14-18H,1-6,9-11H2,(H2,21,22,24)/t12-,14?,15?,16-,17-,18-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 413.45 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 10409486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).