1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol

C13H18N4O2 — CID 123194851

IUPAC1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol
SMILESCC(O)C1CC(C)(n2ccc3c(N)ncnc32)CO1
InChIInChI=1S/C13H18N4O2/c1-8(18)10-5-13(2,6-19-10)17-4-3-9-11(14)15-7-16-12(9)17/h3-4,7-8,10,18H,5-6H2,1-2H3,(H2,14,15,16)
InChIKeyCICNACIEFROKFC-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.90
Rot. Bonds2

About 1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol

1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol (PubChem CID 123194851) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol
PubChem CID123194851
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol
SMILESCC(O)C1CC(C)(n2ccc3c(N)ncnc32)CO1
InChIInChI=1S/C13H18N4O2/c1-8(18)10-5-13(2,6-19-10)17-4-3-9-11(14)15-7-16-12(9)17/h3-4,7-8,10,18H,5-6H2,1-2H3,(H2,14,15,16)
InChIKeyCICNACIEFROKFC-UHFFFAOYSA-N
XLogP0.90
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S,3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-3,4-dimethyloxolan-2-yl]ethanol
CID 90347990
7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 141429263
7-[(1R,2S,4R,6R)-2-ethenyl-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155175938
(2R,3R,4R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(hydroxymethyl)-2-[(1S)-1-hydroxyprop-2-ynyl]oxetan-3-ol
CID 129152209
7-[(4R,5R)-4-ethyl-2,2-dimethyl-5-(2-methylprop-2-enyl)-1,3-dioxolan-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155176034
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 172806885
(2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(1-hydroxypropyl)-3-methyloxolane-3,4-diol
CID 71487534
[(3R,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-ethynyl-4-hydroxyoxolan-3-yl] 2-methylpropanoate
CID 89101634
3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,5-dimethylcyclopentane-1,2-diol
CID 175806544
(2R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,5-dimethyloxolane-3,4-diol
CID 163953198
7-[(3aR,4R,6R,6aS)-4-ethenyl-2,2,3a,4-tetramethyl-6,6a-dihydro-5H-cyclopenta[d][1,3]dioxol-6-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 146346298
(1R,2S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1-[1-methyl-3-(pyridin-3-ylmethyl)cyclobutyl]butane-1,2-diol
CID 167191405

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol?
The IUPAC name of 1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol (CID 123194851) is 1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol.
What is the SMILES notation for 1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol?
The canonical SMILES for 1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol is CC(O)C1CC(C)(n2ccc3c(N)ncnc32)CO1.
What is the InChIKey of 1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol?
The InChIKey is CICNACIEFROKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(18)10-5-13(2,6-19-10)17-4-3-9-11(14)15-7-16-12(9)17/h3-4,7-8,10,18H,5-6H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol?
1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol has a molecular weight of 262.31 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethanol is sourced from PubChem (CID 123194851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).