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

C17H17N3O5 — CID 5272205

IUPAC6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylimidazo[1,2-c]pyrimidin-5-one
SMILESO=c1n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc2nc(-c3ccccc3)cn12
InChIInChI=1S/C17H17N3O5/c21-9-12-14(22)15(23)16(25-12)19-7-6-13-18-11(8-20(13)17(19)24)10-4-2-1-3-5-10/h1-8,12,14-16,21-23H,9H2/t12-,14-,15-,16-/m1/s1
InChIKeyJYODMTGMMZCVBA-DTZQCDIJSA-N
MW343.34 g/mol
LogP-0.23
Rot. Bonds3

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

6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylimidazo[1,2-c]pyrimidin-5-one (PubChem CID 5272205) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylimidazo[1,2-c]pyrimidin-5-one
PubChem CID5272205
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylimidazo[1,2-c]pyrimidin-5-one
SMILESO=c1n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc2nc(-c3ccccc3)cn12
InChIInChI=1S/C17H17N3O5/c21-9-12-14(22)15(23)16(25-12)19-7-6-13-18-11(8-20(13)17(19)24)10-4-2-1-3-5-10/h1-8,12,14-16,21-23H,9H2/t12-,14-,15-,16-/m1/s1
InChIKeyJYODMTGMMZCVBA-DTZQCDIJSA-N
XLogP-0.23
TPSA109.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(5R,6R,7S,8S)-5-(Hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-A]pyridine-6,7,8-triol
CID 5288604
(1s)-1,5-Anhydro-1-(5-Phenyl-1h-Imidazol-2-Yl)-D-Glucitol
CID 71522432
5-(Hydroxymethyl)-2-(6-phenylpurin-9-yl)oxolane-3,4-diol
CID 482589
(2E)-N-(2-(1-beta-D-Glucopyranosyl-1H-imidazol-4-yl)ethyl)-N-methyl-3-phenyl-2-propenamide
CID 5281818
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 44626659
(2R,3R,4S,5R)-2-[6-[(E)-2-[benzyl(methyl)amino]ethenyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44454346
(2R,3S,4R)-2-(hydroxymethyl)-5-[7-(1-phenylpropan-2-ylamino)imidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol
CID 46875007
(2R,3R,4S,5R)-2-(4-benzylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 44194402
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(indol-1-ylmethyl)purin-9-yl]oxolane-3,4-diol
CID 24882390
(3S,4R,5S)-2-[(8R)-8-benzyl-7,8-dihydroimidazo[2,1-f]purin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46876317
(3S,4R,5S)-2-[(8S)-8-benzyl-7,8-dihydroimidazo[2,1-f]purin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46876318
(2S,3R,4S)-2-(hydroxymethyl)-5-[(8S)-8-phenyl-7,8-dihydroimidazo[2,1-f]purin-3-yl]oxolane-3,4-diol
CID 46876824

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylimidazo[1,2-c]pyrimidin-5-one (CID 5272205) is 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylimidazo[1,2-c]pyrimidin-5-one is O=c1n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc2nc(-c3ccccc3)cn12.
What is the InChIKey of 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is JYODMTGMMZCVBA-DTZQCDIJSA-N. The full InChI is InChI=1S/C17H17N3O5/c21-9-12-14(22)15(23)16(25-12)19-7-6-13-18-11(8-20(13)17(19)24)10-4-2-1-3-5-10/h1-8,12,14-16,21-23H,9H2/t12-,14-,15-,16-/m1/s1.
What are the key properties of 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylimidazo[1,2-c]pyrimidin-5-one?
6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 343.34 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 5272205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).