(1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol

C12H15FN4O2 — CID 159176531

IUPAC(1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol
SMILESNc1ncnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@@H]3F)c[nH]c12
InChIInChI=1S/C12H15FN4O2/c13-8-6(1-5(3-18)11(8)19)7-2-15-10-9(7)16-4-17-12(10)14/h2,4-6,8,11,15,18-19H,1,3H2,(H2,14,16,17)/t5-,6+,8-,11-/m1/s1
InChIKeyQYLXJCBJWDYDEM-WCGPTHBMSA-N
MW266.28 g/mol
LogP0.33
Rot. Bonds2

About (1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol

(1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 159176531) has the molecular formula C12H15FN4O2 and a molecular weight of 266.28 g/mol. Its IUPAC name is (1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol
PubChem CID159176531
Molecular FormulaC12H15FN4O2
Molecular Weight266.28 g/mol
Exact Mass266.12
IUPAC Name(1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol
SMILESNc1ncnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@@H]3F)c[nH]c12
InChIInChI=1S/C12H15FN4O2/c13-8-6(1-5(3-18)11(8)19)7-2-15-10-9(7)16-4-17-12(10)14/h2,4-6,8,11,15,18-19H,1,3H2,(H2,14,16,17)/t5-,6+,8-,11-/m1/s1
InChIKeyQYLXJCBJWDYDEM-WCGPTHBMSA-N
XLogP0.33
TPSA108.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol with MolForge

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Related Compounds

7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 158298338
[(1S,2R,3R,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-hydroxy-3-(hydroxymethyl)cyclopentyl] (2S)-2-amino-3-methylbutanoate
CID 158456799
(2S,3R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 58682811
5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-3-ol
CID 123707001
[5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 73047496
2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-ethylpyrrolidine-3,4-diol
CID 21044337
(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-bromo-2-(hydroxymethyl)oxolan-3-ol
CID 5274102
2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidin-3-ol
CID 169188122
[(2S,3R,4S,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-carboxyoxy-5-(hydroxymethyl)pyrrolidin-3-yl] hydrogen carbonate
CID 90008224
[(2S,3S,4R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl] 2-amino-3-methylbutanoate
CID 90008156
4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine
CID 158298340
2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-propylpyrrolidine-3,4-diol
CID 10171596

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol (CID 159176531) is (1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol is Nc1ncnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@@H]3F)c[nH]c12.
What is the InChIKey of (1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is QYLXJCBJWDYDEM-WCGPTHBMSA-N. The full InChI is InChI=1S/C12H15FN4O2/c13-8-6(1-5(3-18)11(8)19)7-2-15-10-9(7)16-4-17-12(10)14/h2,4-6,8,11,15,18-19H,1,3H2,(H2,14,16,17)/t5-,6+,8-,11-/m1/s1.
What are the key properties of (1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol?
(1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 266.28 g/mol, XLogP of 0.33, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 159176531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).