[(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol

C11H14FN5O2 — CID 5271786

IUPAC[(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol
SMILESNc1nc(N)c2ccn([C@@H]3O[C@H](CO)C[C@@H]3F)c2n1
InChIInChI=1S/C11H14FN5O2/c12-7-3-5(4-18)19-10(7)17-2-1-6-8(13)15-11(14)16-9(6)17/h1-2,5,7,10,18H,3-4H2,(H4,13,14,15,16)/t5-,7-,10+/m0/s1
InChIKeyFREGDBROKAEEPO-YCRQMBEESA-N
MW267.26 g/mol
LogP0.21
Rot. Bonds2

About [(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol

[(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol (PubChem CID 5271786) has the molecular formula C11H14FN5O2 and a molecular weight of 267.26 g/mol. Its IUPAC name is [(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol
PubChem CID5271786
Molecular FormulaC11H14FN5O2
Molecular Weight267.26 g/mol
Exact Mass267.11
IUPAC Name[(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol
SMILESNc1nc(N)c2ccn([C@@H]3O[C@H](CO)C[C@@H]3F)c2n1
InChIInChI=1S/C11H14FN5O2/c12-7-3-5(4-18)19-10(7)17-2-1-6-8(13)15-11(14)16-9(6)17/h1-2,5,7,10,18H,3-4H2,(H4,13,14,15,16)/t5-,7-,10+/m0/s1
InChIKeyFREGDBROKAEEPO-YCRQMBEESA-N
XLogP0.21
TPSA112.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-7-[(2R,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 144683681
[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57008167
[(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol
CID 71158776
4-fluoro-1-[(2R,3R,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 57270689
[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57116771
[5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 144929572
1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 142053306
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one
CID 59875116
2-amino-9-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135499692
[5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 14853632
(2S,3S,4S,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 171395803

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol?
The IUPAC name of [(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol (CID 5271786) is [(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol?
The canonical SMILES for [(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol is Nc1nc(N)c2ccn([C@@H]3O[C@H](CO)C[C@@H]3F)c2n1.
What is the InChIKey of [(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol?
The InChIKey is FREGDBROKAEEPO-YCRQMBEESA-N. The full InChI is InChI=1S/C11H14FN5O2/c12-7-3-5(4-18)19-10(7)17-2-1-6-8(13)15-11(14)16-9(6)17/h1-2,5,7,10,18H,3-4H2,(H4,13,14,15,16)/t5-,7-,10+/m0/s1.
What are the key properties of [(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol?
[(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol has a molecular weight of 267.26 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol is sourced from PubChem (CID 5271786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).