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

C12H14N4O6 — CID 168973348

IUPAC5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(1H-imidazol-2-yl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ncc[nH]2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H14N4O6/c17-4-6-7(18)8(19)9(22-6)5-3-16(11-13-1-2-14-11)12(21)15-10(5)20/h1-3,6-9,17-19H,4H2,(H,13,14)(H,15,20,21)/t6-,7-,8-,9+/m1/s1
InChIKeyLCWWJSFMZMIJKP-BGZDPUMWSA-N
MW310.27 g/mol
LogP-2.60
Rot. Bonds3

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

5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(1H-imidazol-2-yl)pyrimidine-2,4-dione (PubChem CID 168973348) has the molecular formula C12H14N4O6 and a molecular weight of 310.27 g/mol. Its IUPAC name is 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(1H-imidazol-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(1H-imidazol-2-yl)pyrimidine-2,4-dione
PubChem CID168973348
Molecular FormulaC12H14N4O6
Molecular Weight310.27 g/mol
Exact Mass310.09
IUPAC Name5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(1H-imidazol-2-yl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ncc[nH]2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H14N4O6/c17-4-6-7(18)8(19)9(22-6)5-3-16(11-13-1-2-14-11)12(21)15-10(5)20/h1-3,6-9,17-19H,4H2,(H,13,14)(H,15,20,21)/t6-,7-,8-,9+/m1/s1
InChIKeyLCWWJSFMZMIJKP-BGZDPUMWSA-N
XLogP-2.60
TPSA153.46 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 5-2.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propylpyrimidine-2,4-dione
CID 90220597
5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylsulfanylpyrimidine-2,4-dione
CID 174112515
1-cyclobutyloxy-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 168973317
5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-enylpyrimidine-2,4-dione
CID 123502437
1-cyclopentyl-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 168973339
methyl 2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate
CID 174112531
2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide
CID 174112541
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(3-oxobutyl)pyrimidine-2,4-dione
CID 58192972
5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 66795639
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(2-ethoxyethyl)pyrimidine-2,4-dione
CID 129218180
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-[(4-ethoxyphenyl)methyl]pyrimidine-2,4-dione
CID 129218111
5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-[(3-methylbut-2-enylamino)methyl]pyrimidine-2,4-dione
CID 174112543

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(1H-imidazol-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(1H-imidazol-2-yl)pyrimidine-2,4-dione (CID 168973348) is 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(1H-imidazol-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(1H-imidazol-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(1H-imidazol-2-yl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ncc[nH]2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(1H-imidazol-2-yl)pyrimidine-2,4-dione?
The InChIKey is LCWWJSFMZMIJKP-BGZDPUMWSA-N. The full InChI is InChI=1S/C12H14N4O6/c17-4-6-7(18)8(19)9(22-6)5-3-16(11-13-1-2-14-11)12(21)15-10(5)20/h1-3,6-9,17-19H,4H2,(H,13,14)(H,15,20,21)/t6-,7-,8-,9+/m1/s1.
What are the key properties of 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(1H-imidazol-2-yl)pyrimidine-2,4-dione?
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(1H-imidazol-2-yl)pyrimidine-2,4-dione has a molecular weight of 310.27 g/mol, XLogP of -2.60, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(1H-imidazol-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 168973348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).