4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione

C44H60Cl4F2N10O18S2 — CID 162063096

IUPAC4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(F)[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1O.CC(F)[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](Cl)[C@@H]1O.CSC[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1O.CSC[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](Cl)[C@@H]1O
InChIInChI=1S/C11H15ClFN3O4.C11H14ClFN2O5.C11H16ClN3O4S.C11H15ClN2O5S/c1-5(13)11(4-17)8(18)7(12)9(20-11)16-3-2-6(14)15-10(16)19;1-5(13)11(4-16)8(18)7(12)9(20-11)15-3-2-6(17)14-10(15)19;1-20-5-11(4-16)8(17)7(12)9(19-11)15-3-2-6(13)14-10(15)18;1-20-5-11(4-15)8(17)7(12)9(19-11)14-3-2-6(16)13-10(14)18/h2-3,5,7-9,17-18H,4H2,1H3,(H2,14,15,19);2-3,5,7-9,16,18H,4H2,1H3,(H,14,17,19);2-3,7-9,16-17H,4-5H2,1H3,(H2,13,14,18);2-3,7-9,15,17H,4-5H2,1H3,(H,13,16,18)/t2*5?,7-,8+,9-,11+;2*7-,8+,9-,11+/m1111/s1
InChIKeyZACFLPHEWBKCTE-SFNLOHHNSA-N
MW1260.96 g/mol
LogP-2.92
Rot. Bonds14

About 4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione

4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 162063096) has the molecular formula C44H60Cl4F2N10O18S2 and a molecular weight of 1260.96 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID162063096
Molecular FormulaC44H60Cl4F2N10O18S2
Molecular Weight1260.96 g/mol
Exact Mass1258.23
IUPAC Name4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(F)[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1O.CC(F)[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](Cl)[C@@H]1O.CSC[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1O.CSC[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](Cl)[C@@H]1O
InChIInChI=1S/C11H15ClFN3O4.C11H14ClFN2O5.C11H16ClN3O4S.C11H15ClN2O5S/c1-5(13)11(4-17)8(18)7(12)9(20-11)16-3-2-6(14)15-10(16)19;1-5(13)11(4-16)8(18)7(12)9(20-11)15-3-2-6(17)14-10(15)19;1-20-5-11(4-16)8(17)7(12)9(19-11)15-3-2-6(13)14-10(15)18;1-20-5-11(4-15)8(17)7(12)9(19-11)14-3-2-6(16)13-10(14)18/h2-3,5,7-9,17-18H,4H2,1H3,(H2,14,15,19);2-3,5,7-9,16,18H,4H2,1H3,(H,14,17,19);2-3,7-9,16-17H,4-5H2,1H3,(H2,13,14,18);2-3,7-9,15,17H,4-5H2,1H3,(H,13,16,18)/t2*5?,7-,8+,9-,11+;2*7-,8+,9-,11+/m1111/s1
InChIKeyZACFLPHEWBKCTE-SFNLOHHNSA-N
XLogP-2.92
TPSA430.30 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001260.96
LogP ≤ 5-2.92
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

4-amino-1-[(2R,3S,4R,5R)-3-chloro-5-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 118878411
1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 126759274
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
4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 158430392
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-[3,4-dihydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 22677597
1-[(2R,3R,4R,5R)-5-(difluoromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118294310
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one
CID 23519668
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,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
1-[(3aS,6R,6aR)-4,4-bis(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]pyrimidine-2,4-dione
CID 102238466

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 162063096) is 4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione is CC(F)[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1O.CC(F)[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](Cl)[C@@H]1O.CSC[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1O.CSC[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](Cl)[C@@H]1O.
What is the InChIKey of 4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is ZACFLPHEWBKCTE-SFNLOHHNSA-N. The full InChI is InChI=1S/C11H15ClFN3O4.C11H14ClFN2O5.C11H16ClN3O4S.C11H15ClN2O5S/c1-5(13)11(4-17)8(18)7(12)9(20-11)16-3-2-6(14)15-10(16)19;1-5(13)11(4-16)8(18)7(12)9(20-11)15-3-2-6(17)14-10(15)19;1-20-5-11(4-16)8(17)7(12)9(19-11)15-3-2-6(13)14-10(15)18;1-20-5-11(4-15)8(17)7(12)9(19-11)14-3-2-6(16)13-10(14)18/h2-3,5,7-9,17-18H,4H2,1H3,(H2,14,15,19);2-3,5,7-9,16,18H,4H2,1H3,(H,14,17,19);2-3,7-9,16-17H,4-5H2,1H3,(H2,13,14,18);2-3,7-9,15,17H,4-5H2,1H3,(H,13,16,18)/t2*5?,7-,8+,9-,11+;2*7-,8+,9-,11+/m1111/s1.
What are the key properties of 4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione?
4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 1260.96 g/mol, XLogP of -2.92, 14 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3-chloro-5-(1-fluoroethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 162063096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).