4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one

C13H20FN3O2 — CID 121430258

IUPAC4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one
SMILESCCC1(CC)O[C@@H](n2ccc(N)nc2=O)[C@@H](F)[C@@H]1C
InChIInChI=1S/C13H20FN3O2/c1-4-13(5-2)8(3)10(14)11(19-13)17-7-6-9(15)16-12(17)18/h6-8,10-11H,4-5H2,1-3H3,(H2,15,16,18)/t8-,10-,11+/m0/s1
InChIKeyZLJDZOKMBHUCHL-INTQDDNPSA-N
MW269.32 g/mol
LogP1.89
Rot. Bonds3

About 4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one (PubChem CID 121430258) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one
PubChem CID121430258
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one
SMILESCCC1(CC)O[C@@H](n2ccc(N)nc2=O)[C@@H](F)[C@@H]1C
InChIInChI=1S/C13H20FN3O2/c1-4-13(5-2)8(3)10(14)11(19-13)17-7-6-9(15)16-12(17)18/h6-8,10-11H,4-5H2,1-3H3,(H2,15,16,18)/t8-,10-,11+/m0/s1
InChIKeyZLJDZOKMBHUCHL-INTQDDNPSA-N
XLogP1.89
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one with MolForge

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Related Compounds

4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(chloromethyl)-5-ethyl-4-methyloxolan-2-yl]pyrimidin-2-one
CID 126759285
4-amino-1-[(2R,3R,4S,5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 163968388
4-amino-1-[5-butyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 78137269
4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-[dideuterio(hydroxy)methyl]-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 157261634
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71621665
4-amino-1-[(2R,3S,4S,5R)-5-(difluoromethyl)-5-ethyl-3-hydroxy-4-methyloxolan-2-yl]pyrimidin-2-one
CID 118300189
4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
CID 157180167
4-amino-1-[(2R,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methylsulfanyloxolan-2-yl]pyrimidin-2-one
CID 71761488
4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione
CID 158373177
[(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-propylpentanoate
CID 178041249
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl]pyrimidin-2-one
CID 118596007
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one
CID 23519668

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one (CID 121430258) is 4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one is CCC1(CC)O[C@@H](n2ccc(N)nc2=O)[C@@H](F)[C@@H]1C.
What is the InChIKey of 4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one?
The InChIKey is ZLJDZOKMBHUCHL-INTQDDNPSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-4-13(5-2)8(3)10(14)11(19-13)17-7-6-9(15)16-12(17)18/h6-8,10-11H,4-5H2,1-3H3,(H2,15,16,18)/t8-,10-,11+/m0/s1.
What are the key properties of 4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one has a molecular weight of 269.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 121430258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).