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

C10H15FN4O4 — CID 69036348

IUPAC4-amino-5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methylamino)oxolan-2-yl]pyrimidin-2-one
SMILESCN[C@]1(n2cc(F)c(N)nc2=O)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C10H15FN4O4/c1-13-10(2-6(17)7(4-16)19-10)15-3-5(11)8(12)14-9(15)18/h3,6-7,13,16-17H,2,4H2,1H3,(H2,12,14,18)/t6-,7+,10-/m0/s1
InChIKeyMJSCDSNOZIMFAQ-PJKMHFRUSA-N
MW274.25 g/mol
LogP-2.06
Rot. Bonds3

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

4-amino-5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methylamino)oxolan-2-yl]pyrimidin-2-one (PubChem CID 69036348) has the molecular formula C10H15FN4O4 and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methylamino)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methylamino)oxolan-2-yl]pyrimidin-2-one
PubChem CID69036348
Molecular FormulaC10H15FN4O4
Molecular Weight274.25 g/mol
Exact Mass274.11
IUPAC Name4-amino-5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methylamino)oxolan-2-yl]pyrimidin-2-one
SMILESCN[C@]1(n2cc(F)c(N)nc2=O)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C10H15FN4O4/c1-13-10(2-6(17)7(4-16)19-10)15-3-5(11)8(12)14-9(15)18/h3,6-7,13,16-17H,2,4H2,1H3,(H2,12,14,18)/t6-,7+,10-/m0/s1
InChIKeyMJSCDSNOZIMFAQ-PJKMHFRUSA-N
XLogP-2.06
TPSA122.63 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2S,3R,4S,5R)-2-acetyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-amino-5-fluoropyrimidin-2-one
CID 69227302
4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 67853956
4-amino-1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
CID 141164748
4-amino-1-[(2R,3S,4R,5R)-2-benzoyl-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
CID 70004236
4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67450466
4-amino-1-[(2R,3R,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
CID 57309584
4-amino-5-fluoro-1-[(3S,4R,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]pyrimidin-2-one
CID 170390515
4-amino-1-[(2R,3R,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one;hydrochloride
CID 70465932
4-amino-5-fluoro-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 23317943
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one
CID 175725659
4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 15124185
4-amino-5-fluoro-1-[(2S,5S)-2-(2-fluorobenzoyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 69103791

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methylamino)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methylamino)oxolan-2-yl]pyrimidin-2-one (CID 69036348) is 4-amino-5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methylamino)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methylamino)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methylamino)oxolan-2-yl]pyrimidin-2-one is CN[C@]1(n2cc(F)c(N)nc2=O)C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of 4-amino-5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methylamino)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is MJSCDSNOZIMFAQ-PJKMHFRUSA-N. The full InChI is InChI=1S/C10H15FN4O4/c1-13-10(2-6(17)7(4-16)19-10)15-3-5(11)8(12)14-9(15)18/h3,6-7,13,16-17H,2,4H2,1H3,(H2,12,14,18)/t6-,7+,10-/m0/s1.
What are the key properties of 4-amino-5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methylamino)oxolan-2-yl]pyrimidin-2-one?
4-amino-5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methylamino)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 274.25 g/mol, XLogP of -2.06, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methylamino)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 69036348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).