4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

C41H54F3N9O11 — CID 157245731

IUPAC4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESCC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@@](C)(F)C1C.COC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@](C)(F)C1OC.C[C@]1(F)C(O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
InChIInChI=1S/C19H22FN3O3.C12H18FN3O4.C10H14FN3O4/c1-4-14-12(2)19(3,20)17(26-14)23-11-10-15(22-18(23)25)21-16(24)13-8-6-5-7-9-13;1-12(13)9(19-3)7(6-18-2)20-10(12)16-5-4-8(14)15-11(16)17;1-10(11)7(16)5(4-15)18-8(10)14-3-2-6(12)13-9(14)17/h5-12,14,17H,4H2,1-3H3,(H,21,22,24,25);4-5,7,9-10H,6H2,1-3H3,(H2,14,15,17);2-3,5,7-8,15-16H,4H2,1H3,(H2,12,13,17)/t12?,14-,17-,19+;7-,9?,10-,12+;5-,7?,8-,10+/m111/s1
InChIKeyAVSWBPLHLRJRBS-WIMIPHARSA-N
MW905.93 g/mol
LogP2.08
Rot. Bonds10

About 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide (PubChem CID 157245731) has the molecular formula C41H54F3N9O11 and a molecular weight of 905.93 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
PubChem CID157245731
Molecular FormulaC41H54F3N9O11
Molecular Weight905.93 g/mol
Exact Mass905.39
IUPAC Name4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESCC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@@](C)(F)C1C.COC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@](C)(F)C1OC.C[C@]1(F)C(O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
InChIInChI=1S/C19H22FN3O3.C12H18FN3O4.C10H14FN3O4/c1-4-14-12(2)19(3,20)17(26-14)23-11-10-15(22-18(23)25)21-16(24)13-8-6-5-7-9-13;1-12(13)9(19-3)7(6-18-2)20-10(12)16-5-4-8(14)15-11(16)17;1-10(11)7(16)5(4-15)18-8(10)14-3-2-6(12)13-9(14)17/h5-12,14,17H,4H2,1-3H3,(H,21,22,24,25);4-5,7,9-10H,6H2,1-3H3,(H2,14,15,17);2-3,5,7-8,15-16H,4H2,1H3,(H2,12,13,17)/t12?,14-,17-,19+;7-,9?,10-,12+;5-,7?,8-,10+/m111/s1
InChIKeyAVSWBPLHLRJRBS-WIMIPHARSA-N
XLogP2.08
TPSA272.42 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.93
LogP ≤ 52.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide with MolForge

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Related Compounds

N-[1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 124585544
4-amino-1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;carbanide;chloro(methyl)phosphane;N-[1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,4S,5R)-5-ethyl-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-ethyl-3-fluoro-3-methyl-4-methylphosphanyloxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;nickel
CID 158358635
[(2R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
CID 66696293
N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 59567436
4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 58855695
4-amino-1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;hydroxylamine;methane;hydrochloride
CID 159956705
2-[(2S,3R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(benzoyloxymethyl)-4-fluoro-4-methyloxolan-3-yl]benzoic acid
CID 163197676
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(phenylmethoxyamino)pyrimidin-2-one
CID 90117830
[(2R,3R,4S)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-benzoyloxy-4-hydroxy-4-methyloxolan-2-yl]methyl benzoate
CID 154810093
2-[(2R,3S,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(benzoyloxymethyl)-4-fluoro-4-methyloxolan-3-yl]benzoate
CID 163197682
[(2R,3R,4R,5S)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-benzoyloxy-4-chloro-4-methyloxolan-2-yl]methyl benzoate
CID 138958270
N-[1-[(2R,4S,5R)-3-fluoro-3-methyl-4-methylperoxysulfanyloxy-5-(2-oxoethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 59203439

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide (CID 157245731) is 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide is CC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@@](C)(F)C1C.COC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@](C)(F)C1OC.C[C@]1(F)C(O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is AVSWBPLHLRJRBS-WIMIPHARSA-N. The full InChI is InChI=1S/C19H22FN3O3.C12H18FN3O4.C10H14FN3O4/c1-4-14-12(2)19(3,20)17(26-14)23-11-10-15(22-18(23)25)21-16(24)13-8-6-5-7-9-13;1-12(13)9(19-3)7(6-18-2)20-10(12)16-5-4-8(14)15-11(16)17;1-10(11)7(16)5(4-15)18-8(10)14-3-2-6(12)13-9(14)17/h5-12,14,17H,4H2,1-3H3,(H,21,22,24,25);4-5,7,9-10H,6H2,1-3H3,(H2,14,15,17);2-3,5,7-8,15-16H,4H2,1H3,(H2,12,13,17)/t12?,14-,17-,19+;7-,9?,10-,12+;5-,7?,8-,10+/m111/s1.
What are the key properties of 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 905.93 g/mol, XLogP of 2.08, 10 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 157245731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).