pyrrolo[3,4-d]pyrimidin-7-one

C6H3N3O — CID 22281392

IUPACpyrrolo[3,4-d]pyrimidin-7-one
SMILESO=C1N=Cc2cncnc21
InChIInChI=1S/C6H3N3O/c10-6-5-4(2-8-6)1-7-3-9-5/h1-3H
InChIKeyJAEZULPAINIPIU-UHFFFAOYSA-N
MW133.11 g/mol
LogP0.05
Rot. Bonds

About pyrrolo[3,4-d]pyrimidin-7-one

pyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 22281392) has the molecular formula C6H3N3O and a molecular weight of 133.11 g/mol. Its IUPAC name is pyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Namepyrrolo[3,4-d]pyrimidin-7-one
PubChem CID22281392
Molecular FormulaC6H3N3O
Molecular Weight133.11 g/mol
Exact Mass133.03
IUPAC Namepyrrolo[3,4-d]pyrimidin-7-one
SMILESO=C1N=Cc2cncnc21
InChIInChI=1S/C6H3N3O/c10-6-5-4(2-8-6)1-7-3-9-5/h1-3H
InChIKeyJAEZULPAINIPIU-UHFFFAOYSA-N
XLogP0.05
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of pyrrolo[3,4-d]pyrimidin-7-one (CID 22281392) is pyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for pyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for pyrrolo[3,4-d]pyrimidin-7-one is O=C1N=Cc2cncnc21.
What is the InChIKey of pyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is JAEZULPAINIPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O/c10-6-5-4(2-8-6)1-7-3-9-5/h1-3H.
What are the key properties of pyrrolo[3,4-d]pyrimidin-7-one?
pyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 133.11 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 22281392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).