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

C10H14FN3O4 — CID 67853956

IUPAC4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCc1cn([C@@]2(F)C[C@H](O)[C@@H](CO)O2)c(=O)nc1N
InChIInChI=1S/C10H14FN3O4/c1-5-3-14(9(17)13-8(5)12)10(11)2-6(16)7(4-15)18-10/h3,6-7,15-16H,2,4H2,1H3,(H2,12,13,17)/t6-,7+,10-/m0/s1
InChIKeyBSZPHWRJWNESKU-PJKMHFRUSA-N
MW259.24 g/mol
LogP-1.14
Rot. Bonds2

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

4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one (PubChem CID 67853956) has the molecular formula C10H14FN3O4 and a molecular weight of 259.24 g/mol. Its IUPAC name is 4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
PubChem CID67853956
Molecular FormulaC10H14FN3O4
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCc1cn([C@@]2(F)C[C@H](O)[C@@H](CO)O2)c(=O)nc1N
InChIInChI=1S/C10H14FN3O4/c1-5-3-14(9(17)13-8(5)12)10(11)2-6(16)7(4-15)18-10/h3,6-7,15-16H,2,4H2,1H3,(H2,12,13,17)/t6-,7+,10-/m0/s1
InChIKeyBSZPHWRJWNESKU-PJKMHFRUSA-N
XLogP-1.14
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 ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one with MolForge

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Related Compounds

4-amino-5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methylamino)oxolan-2-yl]pyrimidin-2-one
CID 69036348
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;ethane
CID 144939654
(2R,3S,5S)-5-(6-amino-2-chloropurin-9-yl)-5-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 139688042
4-amino-1-[(2R,3R,5R)-3-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 130425928
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-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 121487046
4-amino-1-[(5S,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)oxepan-2-yl]-5-methylpyrimidin-2-one
CID 24951111
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-triethylsilyloxolan-2-yl]-1,3,5-triazin-2-one
CID 175725659
N,N-diethylethanamine;1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 175888837
4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylperoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 175232169
4-amino-1-[(2R,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 57212120
4-amino-1-[5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 155454878

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one (CID 67853956) is 4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one is Cc1cn([C@@]2(F)C[C@H](O)[C@@H](CO)O2)c(=O)nc1N.
What is the InChIKey of 4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
The InChIKey is BSZPHWRJWNESKU-PJKMHFRUSA-N. The full InChI is InChI=1S/C10H14FN3O4/c1-5-3-14(9(17)13-8(5)12)10(11)2-6(16)7(4-15)18-10/h3,6-7,15-16H,2,4H2,1H3,(H2,12,13,17)/t6-,7+,10-/m0/s1.
What are the key properties of 4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one has a molecular weight of 259.24 g/mol, XLogP of -1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 67853956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).