2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C11H13N3O4 — CID 142087831

IUPAC2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c([C@H]2C[C@H](O)[C@@H](CO)O2)nc2[nH]ccc12
InChIInChI=1S/C11H13N3O4/c15-4-8-6(16)3-7(18-8)10-13-9-5(1-2-12-9)11(17)14-10/h1-2,6-8,15-16H,3-4H2,(H2,12,13,14,17)/t6-,7+,8+/m0/s1
InChIKeyKVKDWNBORLIWGX-XLPZGREQSA-N
MW251.24 g/mol
LogP-0.57
Rot. Bonds2

About 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 142087831) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID142087831
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c([C@H]2C[C@H](O)[C@@H](CO)O2)nc2[nH]ccc12
InChIInChI=1S/C11H13N3O4/c15-4-8-6(16)3-7(18-8)10-13-9-5(1-2-12-9)11(17)14-10/h1-2,6-8,15-16H,3-4H2,(H2,12,13,14,17)/t6-,7+,8+/m0/s1
InChIKeyKVKDWNBORLIWGX-XLPZGREQSA-N
XLogP-0.57
TPSA111.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one
CID 174215648
5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 58776109
6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 90963679
(2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 124679420
2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
CID 67354949
2-amino-3-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 70555478
(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 174024474
(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779
6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135518230
4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one
CID 67727609
(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 71762520
7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 136674918

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 142087831) is 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]c([C@H]2C[C@H](O)[C@@H](CO)O2)nc2[nH]ccc12.
What is the InChIKey of 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is KVKDWNBORLIWGX-XLPZGREQSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-4-8-6(16)3-7(18-8)10-13-9-5(1-2-12-9)11(17)14-10/h1-2,6-8,15-16H,3-4H2,(H2,12,13,14,17)/t6-,7+,8+/m0/s1.
What are the key properties of 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 251.24 g/mol, XLogP of -0.57, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 142087831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).