(2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol

C9H11N3O — CID 131524978

IUPAC(2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol
SMILESC[C@H](CO)n1ccc2cncnc21
InChIInChI=1S/C9H11N3O/c1-7(5-13)12-3-2-8-4-10-6-11-9(8)12/h2-4,6-7,13H,5H2,1H3/t7-/m1/s1
InChIKeyLIMOFZMSSKEUHI-SSDOTTSWSA-N
MW177.21 g/mol
LogP0.98
Rot. Bonds2

About (2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol

(2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol (PubChem CID 131524978) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol
PubChem CID131524978
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol
SMILESC[C@H](CO)n1ccc2cncnc21
InChIInChI=1S/C9H11N3O/c1-7(5-13)12-3-2-8-4-10-6-11-9(8)12/h2-4,6-7,13H,5H2,1H3/t7-/m1/s1
InChIKeyLIMOFZMSSKEUHI-SSDOTTSWSA-N
XLogP0.98
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol?
The IUPAC name of (2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol (CID 131524978) is (2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol.
What is the SMILES notation for (2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol?
The canonical SMILES for (2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol is C[C@H](CO)n1ccc2cncnc21.
What is the InChIKey of (2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol?
The InChIKey is LIMOFZMSSKEUHI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7(5-13)12-3-2-8-4-10-6-11-9(8)12/h2-4,6-7,13H,5H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol?
(2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol has a molecular weight of 177.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol is sourced from PubChem (CID 131524978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).