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

C13H17N3O5 — CID 162248155

IUPAC2-amino-7-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1C1=CCc2c1nc(N)[nH]c2=O
InChIInChI=1S/C13H17N3O5/c1-20-11-9(18)7(4-17)21-10(11)5-2-3-6-8(5)15-13(14)16-12(6)19/h2,7,9-11,17-18H,3-4H2,1H3,(H3,14,15,16,19)/t7-,9-,10+,11-/m1/s1
InChIKeyZXPWYCYUJBVKEW-CZULRBLNSA-N
MW295.30 g/mol
LogP-1.57
Rot. Bonds3

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

2-amino-7-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one (PubChem CID 162248155) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-amino-7-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
PubChem CID162248155
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-amino-7-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1C1=CCc2c1nc(N)[nH]c2=O
InChIInChI=1S/C13H17N3O5/c1-20-11-9(18)7(4-17)21-10(11)5-2-3-6-8(5)15-13(14)16-12(6)19/h2,7,9-11,17-18H,3-4H2,1H3,(H3,14,15,16,19)/t7-,9-,10+,11-/m1/s1
InChIKeyZXPWYCYUJBVKEW-CZULRBLNSA-N
XLogP-1.57
TPSA130.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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-7-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 137213669
5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,6-dimethyl-1H-pyridin-2-one
CID 118004947
5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-6-methyl-1H-pyrimidin-2-one
CID 144823637
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
4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one
CID 123460212
3-[(2R,3R,4S,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-N-methylpropanamide
CID 175544394
2-amino-9-[(2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-1H-purin-6-one
CID 136733780
4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67450466
4-fluoro-5-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one
CID 144823813
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-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one (CID 162248155) is 2-amino-7-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one is CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1C1=CCc2c1nc(N)[nH]c2=O.
What is the InChIKey of 2-amino-7-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is ZXPWYCYUJBVKEW-CZULRBLNSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-20-11-9(18)7(4-17)21-10(11)5-2-3-6-8(5)15-13(14)16-12(6)19/h2,7,9-11,17-18H,3-4H2,1H3,(H3,14,15,16,19)/t7-,9-,10+,11-/m1/s1.
What are the key properties of 2-amino-7-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one?
2-amino-7-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 295.30 g/mol, XLogP of -1.57, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 162248155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).