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

C12H16N4O5 — CID 137213669

IUPAC2-amino-7-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCO[C@H]1C(C2C=Nc3c2nc(N)[nH]c3=O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C12H16N4O5/c1-20-10-8(18)5(3-17)21-9(10)4-2-14-7-6(4)15-12(13)16-11(7)19/h2,4-5,8-10,17-18H,3H2,1H3,(H3,13,15,16,19)/t4?,5-,8-,9?,10-/m1/s1
InChIKeyUYKQLTAWWZLFEN-KMFZMLRESA-N
MW296.28 g/mol
LogP-1.71
Rot. Bonds3

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

2-amino-7-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 137213669) has the molecular formula C12H16N4O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-amino-7-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID137213669
Molecular FormulaC12H16N4O5
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name2-amino-7-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCO[C@H]1C(C2C=Nc3c2nc(N)[nH]c3=O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C12H16N4O5/c1-20-10-8(18)5(3-17)21-9(10)4-2-14-7-6(4)15-12(13)16-11(7)19/h2,4-5,8-10,17-18H,3H2,1H3,(H3,13,15,16,19)/t4?,5-,8-,9?,10-/m1/s1
InChIKeyUYKQLTAWWZLFEN-KMFZMLRESA-N
XLogP-1.71
TPSA143.05 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-7-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
CID 162248155
[[(2R,3S,4S,5S)-4-amino-5-(2-amino-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-hydroxy-2-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 137282444
6-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one
CID 123136021
6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one
CID 118005325
2-amino-7-tert-butyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 139393567
2-amino-9-[(2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-1H-purin-6-one
CID 136733780
5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,6-dimethyl-1H-pyridin-2-one
CID 118004947
2-amino-7-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;[(2R,4S,5S)-5-(2-amino-4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)-3-hydroxy-4-methoxyoxolan-2-yl]peroxy-(hydroxymethyl)phosphinous acid
CID 162122824
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1,8-dihydropurin-6-one
CID 135422750
2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one
CID 158643483
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 57300571
4-amino-1-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3,5-triazin-2-one
CID 77227669

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 137213669) is 2-amino-7-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one is CO[C@H]1C(C2C=Nc3c2nc(N)[nH]c3=O)O[C@H](CO)[C@H]1O.
What is the InChIKey of 2-amino-7-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is UYKQLTAWWZLFEN-KMFZMLRESA-N. The full InChI is InChI=1S/C12H16N4O5/c1-20-10-8(18)5(3-17)21-9(10)4-2-14-7-6(4)15-12(13)16-11(7)19/h2,4-5,8-10,17-18H,3H2,1H3,(H3,13,15,16,19)/t4?,5-,8-,9?,10-/m1/s1.
What are the key properties of 2-amino-7-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 296.28 g/mol, XLogP of -1.71, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137213669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).