[5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol

C11H13FN4O2 — CID 144929572

IUPAC[5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
SMILESNc1nc(F)nc2c1ccn2C1CCC(CO)O1
InChIInChI=1S/C11H13FN4O2/c12-11-14-9(13)7-3-4-16(10(7)15-11)8-2-1-6(5-17)18-8/h3-4,6,8,17H,1-2,5H2,(H2,13,14,15)
InChIKeyYIIQXRXNCSCRNJ-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.82
Rot. Bonds2

About [5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol

[5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol (PubChem CID 144929572) has the molecular formula C11H13FN4O2 and a molecular weight of 252.25 g/mol. Its IUPAC name is [5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
PubChem CID144929572
Molecular FormulaC11H13FN4O2
Molecular Weight252.25 g/mol
Exact Mass252.10
IUPAC Name[5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
SMILESNc1nc(F)nc2c1ccn2C1CCC(CO)O1
InChIInChI=1S/C11H13FN4O2/c12-11-14-9(13)7-3-4-16(10(7)15-11)8-2-1-6(5-17)18-8/h3-4,6,8,17H,1-2,5H2,(H2,13,14,15)
InChIKeyYIIQXRXNCSCRNJ-UHFFFAOYSA-N
XLogP0.82
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 145281051
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
[(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol
CID 5271786
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
CID 160959975
[5-[4-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methanol
CID 156832553
2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]isoquinolin-1-one
CID 163685112
3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 56977811
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
[(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol
CID 11857458
[5-(4-amino-5-ethynylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 142559953
[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
CID 143654262

Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
The IUPAC name of [5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol (CID 144929572) is [5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
The canonical SMILES for [5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol is Nc1nc(F)nc2c1ccn2C1CCC(CO)O1.
What is the InChIKey of [5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
The InChIKey is YIIQXRXNCSCRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2/c12-11-14-9(13)7-3-4-16(10(7)15-11)8-2-1-6(5-17)18-8/h3-4,6,8,17H,1-2,5H2,(H2,13,14,15).
What are the key properties of [5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
[5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol has a molecular weight of 252.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 144929572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).