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

C6H3N3O — CID 23122162

IUPACpyrrolo[3,2-d]pyrimidin-2-one
SMILESO=C1N=CC2=NC=CC2=N1
InChIInChI=1S/C6H3N3O/c10-6-8-3-5-4(9-6)1-2-7-5/h1-3H
InChIKeyDXVAQZJPPDWTNY-UHFFFAOYSA-N
MW133.11 g/mol
LogP0.60
Rot. Bonds

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

pyrrolo[3,2-d]pyrimidin-2-one (PubChem CID 23122162) has the molecular formula C6H3N3O and a molecular weight of 133.11 g/mol. Its IUPAC name is pyrrolo[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Namepyrrolo[3,2-d]pyrimidin-2-one
PubChem CID23122162
Molecular FormulaC6H3N3O
Molecular Weight133.11 g/mol
Exact Mass133.03
IUPAC Namepyrrolo[3,2-d]pyrimidin-2-one
SMILESO=C1N=CC2=NC=CC2=N1
InChIInChI=1S/C6H3N3O/c10-6-8-3-5-4(9-6)1-2-7-5/h1-3H
InChIKeyDXVAQZJPPDWTNY-UHFFFAOYSA-N
XLogP0.60
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,2-d]pyrimidin-2-one?
The IUPAC name of pyrrolo[3,2-d]pyrimidin-2-one (CID 23122162) is pyrrolo[3,2-d]pyrimidin-2-one.
What is the SMILES notation for pyrrolo[3,2-d]pyrimidin-2-one?
The canonical SMILES for pyrrolo[3,2-d]pyrimidin-2-one is O=C1N=CC2=NC=CC2=N1.
What is the InChIKey of pyrrolo[3,2-d]pyrimidin-2-one?
The InChIKey is DXVAQZJPPDWTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O/c10-6-8-3-5-4(9-6)1-2-7-5/h1-3H.
What are the key properties of pyrrolo[3,2-d]pyrimidin-2-one?
pyrrolo[3,2-d]pyrimidin-2-one has a molecular weight of 133.11 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 23122162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).