4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one

C10H14BrN3O4 — CID 170172674

IUPAC4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
SMILESC[C@]1(CO)O[C@@H](n2cc(Br)c(N)nc2=O)C[C@@H]1O
InChIInChI=1S/C10H14BrN3O4/c1-10(4-15)6(16)2-7(18-10)14-3-5(11)8(12)13-9(14)17/h3,6-7,15-16H,2,4H2,1H3,(H2,12,13,17)/t6-,7+,10+/m0/s1
InChIKeyFFOOKWLSWVIVJG-NYNCVSEMSA-N
MW320.14 g/mol
LogP-0.38
Rot. Bonds2

About 4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one

4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one (PubChem CID 170172674) has the molecular formula C10H14BrN3O4 and a molecular weight of 320.14 g/mol. Its IUPAC name is 4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
PubChem CID170172674
Molecular FormulaC10H14BrN3O4
Molecular Weight320.14 g/mol
Exact Mass319.02
IUPAC Name4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
SMILESC[C@]1(CO)O[C@@H](n2cc(Br)c(N)nc2=O)C[C@@H]1O
InChIInChI=1S/C10H14BrN3O4/c1-10(4-15)6(16)2-7(18-10)14-3-5(11)8(12)13-9(14)17/h3,6-7,15-16H,2,4H2,1H3,(H2,12,13,17)/t6-,7+,10+/m0/s1
InChIKeyFFOOKWLSWVIVJG-NYNCVSEMSA-N
XLogP-0.38
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one with MolForge

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Related Compounds

4-amino-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 100972802
[(2R,3S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]methyl phosphono hydrogen phosphate
CID 176809478
4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 139418545
4-amino-1-[(2S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 54292242
4-amino-1-[(2R,4S,5R)-5-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidin-2-one
CID 139752497
[[(2R,3S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 176809450
4-amino-1-[(2R,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
CID 169068372
(2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol
CID 137434563
4-amino-5-bromo-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one
CID 69031667
4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 118151131
4-amino-5-bromo-1-[(2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
CID 101170673
4-amino-5-fluoro-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one;cyclopropane
CID 169190517

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one (CID 170172674) is 4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one is C[C@]1(CO)O[C@@H](n2cc(Br)c(N)nc2=O)C[C@@H]1O.
What is the InChIKey of 4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one?
The InChIKey is FFOOKWLSWVIVJG-NYNCVSEMSA-N. The full InChI is InChI=1S/C10H14BrN3O4/c1-10(4-15)6(16)2-7(18-10)14-3-5(11)8(12)13-9(14)17/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-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one?
4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one has a molecular weight of 320.14 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 170172674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).