pyrrolo[2,3-d]pyrimidin-4-one

C6H3N3O — CID 22605274

IUPACpyrrolo[2,3-d]pyrimidin-4-one
SMILESO=C1N=CN=C2N=CC=C12
InChIInChI=1S/C6H3N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H
InChIKeyJJJQHTCJNMSSJV-UHFFFAOYSA-N
MW133.11 g/mol
LogP-0.04
Rot. Bonds

About pyrrolo[2,3-d]pyrimidin-4-one

pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 22605274) has the molecular formula C6H3N3O and a molecular weight of 133.11 g/mol. Its IUPAC name is pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Namepyrrolo[2,3-d]pyrimidin-4-one
PubChem CID22605274
Molecular FormulaC6H3N3O
Molecular Weight133.11 g/mol
Exact Mass133.03
IUPAC Namepyrrolo[2,3-d]pyrimidin-4-one
SMILESO=C1N=CN=C2N=CC=C12
InChIInChI=1S/C6H3N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H
InChIKeyJJJQHTCJNMSSJV-UHFFFAOYSA-N
XLogP-0.04
TPSA54.15 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 ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of pyrrolo[2,3-d]pyrimidin-4-one (CID 22605274) is pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for pyrrolo[2,3-d]pyrimidin-4-one is O=C1N=CN=C2N=CC=C12.
What is the InChIKey of pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is JJJQHTCJNMSSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H.
What are the key properties of pyrrolo[2,3-d]pyrimidin-4-one?
pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 133.11 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 22605274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).