4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one

C10H14FN3O4 — CID 70842179

IUPAC4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCC(O)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](F)C1O
InChIInChI=1S/C10H14FN3O4/c1-4(15)8-7(16)6(11)9(18-8)14-3-2-5(12)13-10(14)17/h2-4,6-9,15-16H,1H3,(H2,12,13,17)/t4?,6-,7?,8+,9+/m0/s1
InChIKeyAOBZLWDHGHQMFT-OBDOFKLGSA-N
MW259.24 g/mol
LogP-1.20
Rot. Bonds2

About 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 70842179) has the molecular formula C10H14FN3O4 and a molecular weight of 259.24 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID70842179
Molecular FormulaC10H14FN3O4
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCC(O)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](F)C1O
InChIInChI=1S/C10H14FN3O4/c1-4(15)8-7(16)6(11)9(18-8)14-3-2-5(12)13-10(14)17/h2-4,6-9,15-16H,1H3,(H2,12,13,17)/t4?,6-,7?,8+,9+/m0/s1
InChIKeyAOBZLWDHGHQMFT-OBDOFKLGSA-N
XLogP-1.20
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-1-[(2R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 21117608
4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one
CID 174181998
4-amino-1-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59795629
4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 126586873
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 59504127
4-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-yl]pyrimidin-2-one
CID 121336842
[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-trihydroxyphosphanium
CID 176805301
sodium [(2R)-2-[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-hydroxyphosphinate
CID 54763529
4-amino-1-[(2R,3R,4R,5R)-5-(2-diaminooxyphosphorylethenyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 90928342
4-amino-1-[(2R,5R)-3-amino-3-ethynyl-4-hydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrimidin-2-one
CID 145393136
1-[(2R,3R,4S,5S)-5-acetyl-3,4-dihydroxyoxolan-2-yl]-4-aminopyrimidin-2-one
CID 91488431
[(2R,4S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4,5-difluoro-3-hydroxyoxan-2-yl]methyl 2-(3-methyl-2-oxobutoxy)acetate
CID 174025304

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one (CID 70842179) is 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one is CC(O)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](F)C1O.
What is the InChIKey of 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is AOBZLWDHGHQMFT-OBDOFKLGSA-N. The full InChI is InChI=1S/C10H14FN3O4/c1-4(15)8-7(16)6(11)9(18-8)14-3-2-5(12)13-10(14)17/h2-4,6-9,15-16H,1H3,(H2,12,13,17)/t4?,6-,7?,8+,9+/m0/s1.
What are the key properties of 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 259.24 g/mol, XLogP of -1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 70842179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).