(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

C10H12N4O — CID 67250658

IUPAC(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C10H12N4O/c15-7-2-4-14(5-7)10-8-1-3-11-9(8)12-6-13-10/h1,3,6-7,15H,2,4-5H2,(H,11,12,13)/t7-/m1/s1
InChIKeyFLFIJNXDDGGTBM-SSDOTTSWSA-N
MW204.23 g/mol
LogP0.53
Rot. Bonds1

About (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 67250658) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID67250658
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C10H12N4O/c15-7-2-4-14(5-7)10-8-1-3-11-9(8)12-6-13-10/h1,3,6-7,15H,2,4-5H2,(H,11,12,13)/t7-/m1/s1
InChIKeyFLFIJNXDDGGTBM-SSDOTTSWSA-N
XLogP0.53
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (CID 67250658) is (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is O[C@@H]1CCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is FLFIJNXDDGGTBM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N4O/c15-7-2-4-14(5-7)10-8-1-3-11-9(8)12-6-13-10/h1,3,6-7,15H,2,4-5H2,(H,11,12,13)/t7-/m1/s1.
What are the key properties of (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 204.23 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 67250658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).