4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

C58H79F7N10O14 — CID 161306309

IUPAC4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCC[C@@]1([C@@H](C)O)O[C@@H](n2ccc(=O)n(Cc3ccc(OC)cc3)c2=O)[C@H](F)[C@@H]1C.CC[C@@]1([C@H](C)F)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1C.CC[C@@]1([C@H](C)F)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1C.C[C@H](F)[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O
InChIInChI=1S/C21H27FN2O5.C13H19F2N3O2.C13H18F2N2O3.C11H15F2N3O4/c1-5-21(14(3)25)13(2)18(22)19(29-21)23-11-10-17(26)24(20(23)27)12-15-6-8-16(28-4)9-7-15;1-4-13(8(3)14)7(2)10(15)11(20-13)18-6-5-9(16)17-12(18)19;1-4-13(8(3)14)7(2)10(15)11(20-13)17-6-5-9(18)16-12(17)19;1-5(12)11(4-17)8(18)7(13)9(20-11)16-3-2-6(14)15-10(16)19/h6-11,13-14,18-19,25H,5,12H2,1-4H3;5-8,10-11H,4H2,1-3H3,(H2,16,17,19);5-8,10-11H,4H2,1-3H3,(H,16,18,19);2-3,5,7-9,17-18H,4H2,1H3,(H2,14,15,19)/t13-,14+,18+,19+,21+;2*7-,8-,10+,11+,13+;5-,7+,8-,9+,11-/m0000/s1
InChIKeyVIHFGYNWSFDXPI-GAKPMVNMSA-N
MW1273.31 g/mol
LogP4.62
Rot. Bonds15

About 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 161306309) has the molecular formula C58H79F7N10O14 and a molecular weight of 1273.31 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID161306309
Molecular FormulaC58H79F7N10O14
Molecular Weight1273.31 g/mol
Exact Mass1272.57
IUPAC Name4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCC[C@@]1([C@@H](C)O)O[C@@H](n2ccc(=O)n(Cc3ccc(OC)cc3)c2=O)[C@H](F)[C@@H]1C.CC[C@@]1([C@H](C)F)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1C.CC[C@@]1([C@H](C)F)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1C.C[C@H](F)[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O
InChIInChI=1S/C21H27FN2O5.C13H19F2N3O2.C13H18F2N2O3.C11H15F2N3O4/c1-5-21(14(3)25)13(2)18(22)19(29-21)23-11-10-17(26)24(20(23)27)12-15-6-8-16(28-4)9-7-15;1-4-13(8(3)14)7(2)10(15)11(20-13)18-6-5-9(16)17-12(18)19;1-4-13(8(3)14)7(2)10(15)11(20-13)17-6-5-9(18)16-12(17)19;1-5(12)11(4-17)8(18)7(13)9(20-11)16-3-2-6(14)15-10(16)19/h6-11,13-14,18-19,25H,5,12H2,1-4H3;5-8,10-11H,4H2,1-3H3,(H2,16,17,19);5-8,10-11H,4H2,1-3H3,(H,16,18,19);2-3,5,7-9,17-18H,4H2,1H3,(H2,14,15,19)/t13-,14+,18+,19+,21+;2*7-,8-,10+,11+,13+;5-,7+,8-,9+,11-/m0000/s1
InChIKeyVIHFGYNWSFDXPI-GAKPMVNMSA-N
XLogP4.62
TPSA327.52 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms89
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001273.31
LogP ≤ 54.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (CID 161306309) is 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is CC[C@@]1([C@@H](C)O)O[C@@H](n2ccc(=O)n(Cc3ccc(OC)cc3)c2=O)[C@H](F)[C@@H]1C.CC[C@@]1([C@H](C)F)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1C.CC[C@@]1([C@H](C)F)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1C.C[C@H](F)[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O.
What is the InChIKey of 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is VIHFGYNWSFDXPI-GAKPMVNMSA-N. The full InChI is InChI=1S/C21H27FN2O5.C13H19F2N3O2.C13H18F2N2O3.C11H15F2N3O4/c1-5-21(14(3)25)13(2)18(22)19(29-21)23-11-10-17(26)24(20(23)27)12-15-6-8-16(28-4)9-7-15;1-4-13(8(3)14)7(2)10(15)11(20-13)18-6-5-9(16)17-12(18)19;1-4-13(8(3)14)7(2)10(15)11(20-13)17-6-5-9(18)16-12(17)19;1-5(12)11(4-17)8(18)7(13)9(20-11)16-3-2-6(14)15-10(16)19/h6-11,13-14,18-19,25H,5,12H2,1-4H3;5-8,10-11H,4H2,1-3H3,(H2,16,17,19);5-8,10-11H,4H2,1-3H3,(H,16,18,19);2-3,5,7-9,17-18H,4H2,1H3,(H2,14,15,19)/t13-,14+,18+,19+,21+;2*7-,8-,10+,11+,13+;5-,7+,8-,9+,11-/m0000/s1.
What are the key properties of 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 1273.31 g/mol, XLogP of 4.62, 15 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-[(1S)-1-fluoroethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1S)-1-fluoroethyl]-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-5-[(1R)-1-hydroxyethyl]-4-methyloxolan-2-yl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 161306309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).