5H-pyrrolo[3,2-d]pyrimidin-7-ol

C6H5N3O — CID 68714083

IUPAC5H-pyrrolo[3,2-d]pyrimidin-7-ol
SMILESOc1c[nH]c2cncnc12
InChIInChI=1S/C6H5N3O/c10-5-2-8-4-1-7-3-9-6(4)5/h1-3,8,10H
InChIKeyJPIXHUXVOKRXPS-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.66
Rot. Bonds

About 5H-pyrrolo[3,2-d]pyrimidin-7-ol

5H-pyrrolo[3,2-d]pyrimidin-7-ol (PubChem CID 68714083) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 5H-pyrrolo[3,2-d]pyrimidin-7-ol.

Molecular Properties

Compound Name5H-pyrrolo[3,2-d]pyrimidin-7-ol
PubChem CID68714083
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name5H-pyrrolo[3,2-d]pyrimidin-7-ol
SMILESOc1c[nH]c2cncnc12
InChIInChI=1S/C6H5N3O/c10-5-2-8-4-1-7-3-9-6(4)5/h1-3,8,10H
InChIKeyJPIXHUXVOKRXPS-UHFFFAOYSA-N
XLogP0.66
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrrolo[3,2-d]pyrimidin-7-ol?
The IUPAC name of 5H-pyrrolo[3,2-d]pyrimidin-7-ol (CID 68714083) is 5H-pyrrolo[3,2-d]pyrimidin-7-ol.
What is the SMILES notation for 5H-pyrrolo[3,2-d]pyrimidin-7-ol?
The canonical SMILES for 5H-pyrrolo[3,2-d]pyrimidin-7-ol is Oc1c[nH]c2cncnc12.
What is the InChIKey of 5H-pyrrolo[3,2-d]pyrimidin-7-ol?
The InChIKey is JPIXHUXVOKRXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-5-2-8-4-1-7-3-9-6(4)5/h1-3,8,10H.
What are the key properties of 5H-pyrrolo[3,2-d]pyrimidin-7-ol?
5H-pyrrolo[3,2-d]pyrimidin-7-ol has a molecular weight of 135.13 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrrolo[3,2-d]pyrimidin-7-ol is sourced from PubChem (CID 68714083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).