3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one

C9H12N2O5 — CID 102461643

IUPAC3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
SMILESO=c1ccncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H12N2O5/c12-3-5-7(14)8(15)9(16-5)11-4-10-2-1-6(11)13/h1-2,4-5,7-9,12,14-15H,3H2/t5-,7-,8-,9-/m1/s1
InChIKeyKOCMVSNGUFLMHS-ZOQUXTDFSA-N
MW228.20 g/mol
LogP-2.15
Rot. Bonds2

About 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one

3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one (PubChem CID 102461643) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
PubChem CID102461643
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
SMILESO=c1ccncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H12N2O5/c12-3-5-7(14)8(15)9(16-5)11-4-10-2-1-6(11)13/h1-2,4-5,7-9,12,14-15H,3H2/t5-,7-,8-,9-/m1/s1
InChIKeyKOCMVSNGUFLMHS-ZOQUXTDFSA-N
XLogP-2.15
TPSA104.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one with MolForge

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Related Compounds

2,2'-Anhydrouridine
CID 806138
Adenosine receptor agonist, 14
CID 122199217
6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-
CID 98961
3-Pentofuranosylpyrimidin-4(3h)-one
CID 274087
2-Methoxy-1-beta-D-ribofuranosylpyrimidine-4-one-5''-monophosphate
CID 52952495
2,5'-Anhydrouridine
CID 10632980
2,2'-Anhydro-(1-Beta-D-Ribofuranosyl)uracil
CID 5326916
6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, (2S,3S,9aS)-
CID 5276645
2-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-4-one
CID 90674442
Isocytidine
CID 65031
2,2'-Anhydro-L-uridine
CID 10867981
2'-Deoxy-2'-fluoroisocytidine
CID 122395473

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one?
The IUPAC name of 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one (CID 102461643) is 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one.
What is the SMILES notation for 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one?
The canonical SMILES for 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one is O=c1ccncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one?
The InChIKey is KOCMVSNGUFLMHS-ZOQUXTDFSA-N. The full InChI is InChI=1S/C9H12N2O5/c12-3-5-7(14)8(15)9(16-5)11-4-10-2-1-6(11)13/h1-2,4-5,7-9,12,14-15H,3H2/t5-,7-,8-,9-/m1/s1.
What are the key properties of 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one?
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one has a molecular weight of 228.20 g/mol, XLogP of -2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one is sourced from PubChem (CID 102461643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).