5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione

C10H14N2O6 — CID 70685906

IUPAC5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O6/c1-10(17)6(14)5(3-13)18-7(10)4-2-11-9(16)12-8(4)15/h2,5-7,13-14,17H,3H2,1H3,(H2,11,12,15,16)/t5-,6-,7+,10-/m1/s1
InChIKeyWQOPYKXGDGQVCK-QGOVLLJGSA-N
MW258.23 g/mol
LogP-2.39
Rot. Bonds2

About 5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione

5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 70685906) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is 5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID70685906
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O6/c1-10(17)6(14)5(3-13)18-7(10)4-2-11-9(16)12-8(4)15/h2,5-7,13-14,17H,3H2,1H3,(H2,11,12,15,16)/t5-,6-,7+,10-/m1/s1
InChIKeyWQOPYKXGDGQVCK-QGOVLLJGSA-N
XLogP-2.39
TPSA135.64 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-2.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 66795639
5-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
CID 90176329
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;prop-1-yne
CID 175419624
7-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135910196
5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 14056611
5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]-1H-pyrimidin-2-one
CID 87983801
2-amino-7-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135870546
5-[(2S,3S,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 58288011
5-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-1H-pyrimidine-2,4-dione
CID 159568441
5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
CID 5251904
1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 91153756
5-[(2S,3S,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-[hydroxy(2-methylpropyl)amino]oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 151462366

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione (CID 70685906) is 5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione is C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is WQOPYKXGDGQVCK-QGOVLLJGSA-N. The full InChI is InChI=1S/C10H14N2O6/c1-10(17)6(14)5(3-13)18-7(10)4-2-11-9(16)12-8(4)15/h2,5-7,13-14,17H,3H2,1H3,(H2,11,12,15,16)/t5-,6-,7+,10-/m1/s1.
What are the key properties of 5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione?
5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 258.23 g/mol, XLogP of -2.39, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70685906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).