[(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol

C12H16N4O — CID 513212

IUPAC[(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol
SMILESNc1ncnc2c1ccn2[C@@H]1CC[C@H](CO)C1
InChIInChI=1S/C12H16N4O/c13-11-10-3-4-16(12(10)15-7-14-11)9-2-1-8(5-9)6-17/h3-4,7-9,17H,1-2,5-6H2,(H2,13,14,15)/t8-,9+/m0/s1
InChIKeyXVEJYMVNCBBYQY-DTWKUNHWSA-N
MW232.29 g/mol
LogP1.35
Rot. Bonds2

About [(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol

[(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol (PubChem CID 513212) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol
PubChem CID513212
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol
SMILESNc1ncnc2c1ccn2[C@@H]1CC[C@H](CO)C1
InChIInChI=1S/C12H16N4O/c13-11-10-3-4-16(12(10)15-7-14-11)9-2-1-8(5-9)6-17/h3-4,7-9,17H,1-2,5-6H2,(H2,13,14,15)/t8-,9+/m0/s1
InChIKeyXVEJYMVNCBBYQY-DTWKUNHWSA-N
XLogP1.35
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol?
The IUPAC name of [(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol (CID 513212) is [(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol.
What is the SMILES notation for [(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol?
The canonical SMILES for [(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol is Nc1ncnc2c1ccn2[C@@H]1CC[C@H](CO)C1.
What is the InChIKey of [(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol?
The InChIKey is XVEJYMVNCBBYQY-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H16N4O/c13-11-10-3-4-16(12(10)15-7-14-11)9-2-1-8(5-9)6-17/h3-4,7-9,17H,1-2,5-6H2,(H2,13,14,15)/t8-,9+/m0/s1.
What are the key properties of [(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol?
[(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol has a molecular weight of 232.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methanol is sourced from PubChem (CID 513212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).