3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol

C11H13N3O2 — CID 162768100

IUPAC3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol
SMILESOC1CCC(n2ccc3cncnc32)C1O
InChIInChI=1S/C11H13N3O2/c15-9-2-1-8(10(9)16)14-4-3-7-5-12-6-13-11(7)14/h3-6,8-10,15-16H,1-2H2
InChIKeyHZDVVVZVUHMHSJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.49
Rot. Bonds1

About 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol

3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol (PubChem CID 162768100) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol.

Molecular Properties

Compound Name3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol
PubChem CID162768100
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol
SMILESOC1CCC(n2ccc3cncnc32)C1O
InChIInChI=1S/C11H13N3O2/c15-9-2-1-8(10(9)16)14-4-3-7-5-12-6-13-11(7)14/h3-6,8-10,15-16H,1-2H2
InChIKeyHZDVVVZVUHMHSJ-UHFFFAOYSA-N
XLogP0.49
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol?
The IUPAC name of 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol (CID 162768100) is 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol.
What is the SMILES notation for 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol?
The canonical SMILES for 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol is OC1CCC(n2ccc3cncnc32)C1O.
What is the InChIKey of 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol?
The InChIKey is HZDVVVZVUHMHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-9-2-1-8(10(9)16)14-4-3-7-5-12-6-13-11(7)14/h3-6,8-10,15-16H,1-2H2.
What are the key properties of 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol?
3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol has a molecular weight of 219.24 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol is sourced from PubChem (CID 162768100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).