6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one

C11H13N3O5 — CID 136808319

IUPAC6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)ccc2nccn12
InChIInChI=1S/C11H13N3O5/c15-5-6-8(16)9(17)10(19-6)14-3-1-7-12-2-4-13(7)11(14)18/h1-4,6,8-10,15-17H,5H2/t6-,8+,9-,10-/m0/s1
InChIKeyDUCZQUFMCSTEHH-NORCUCSASA-N
MW267.24 g/mol
LogP-1.89
Rot. Bonds2

About 6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one

6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one (PubChem CID 136808319) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one
PubChem CID136808319
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)ccc2nccn12
InChIInChI=1S/C11H13N3O5/c15-5-6-8(16)9(17)10(19-6)14-3-1-7-12-2-4-13(7)11(14)18/h1-4,6,8-10,15-17H,5H2/t6-,8+,9-,10-/m0/s1
InChIKeyDUCZQUFMCSTEHH-NORCUCSASA-N
XLogP-1.89
TPSA109.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one (CID 136808319) is 6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one is O=c1n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)ccc2nccn12.
What is the InChIKey of 6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is DUCZQUFMCSTEHH-NORCUCSASA-N. The full InChI is InChI=1S/C11H13N3O5/c15-5-6-8(16)9(17)10(19-6)14-3-1-7-12-2-4-13(7)11(14)18/h1-4,6,8-10,15-17H,5H2/t6-,8+,9-,10-/m0/s1.
What are the key properties of 6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one?
6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 267.24 g/mol, XLogP of -1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 136808319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).