7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C12H14FN3O3 — CID 158298338

IUPAC7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3F)c[nH]c12
InChIInChI=1S/C12H14FN3O3/c13-8-6(1-5(3-17)11(8)18)7-2-14-10-9(7)15-4-16-12(10)19/h2,4-6,8,11,14,17-18H,1,3H2,(H,15,16,19)/t5-,6+,8+,11-/m1/s1
InChIKeyRQYQNSJOGXOIBR-CYQNLZQDSA-N
MW267.26 g/mol
LogP0.05
Rot. Bonds2

About 7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 158298338) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID158298338
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3F)c[nH]c12
InChIInChI=1S/C12H14FN3O3/c13-8-6(1-5(3-17)11(8)18)7-2-14-10-9(7)15-4-16-12(10)19/h2,4-6,8,11,14,17-18H,1,3H2,(H,15,16,19)/t5-,6+,8+,11-/m1/s1
InChIKeyRQYQNSJOGXOIBR-CYQNLZQDSA-N
XLogP0.05
TPSA102.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol
CID 159176531
7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135475591
7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135483765
7-[(2S,3R,5R)-3-hydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 142985341
7-[(1S,2S,3R,4R)-2,3-dihydroxy-4-[(E)-2-phenylethenyl]cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 159682793
7-[(2S,3S,4R,5R)-1-tert-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136641542
7-[(5S,6R)-5,6-dihydroxypiperidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 163928711
7-[[(2S,4R)-2,4-bis(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135783312
7-[(2S,3S,4R,5R)-5-butyl-3,4-dihydroxypyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135981960
[(2R,3R,4S,5S)-3,4-dihydroxy-5-(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidin-2-yl]methyl dihydrogen phosphate
CID 135509110
[2-(7H-purin-6-yl)cyclopropyl]methanol
CID 74347683
[(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

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 158298338) is 7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3F)c[nH]c12.
What is the InChIKey of 7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is RQYQNSJOGXOIBR-CYQNLZQDSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-8-6(1-5(3-17)11(8)18)7-2-14-10-9(7)15-4-16-12(10)19/h2,4-6,8,11,14,17-18H,1,3H2,(H,15,16,19)/t5-,6+,8+,11-/m1/s1.
What are the key properties of 7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 267.26 g/mol, XLogP of 0.05, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,2S,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 158298338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).