2H-pyrrolo[1,2-a]pyrimidin-6-one

C7H6N2O — CID 54542236

IUPAC2H-pyrrolo[1,2-a]pyrimidin-6-one
SMILESO=C1C=CC2=NCC=CN12
InChIInChI=1S/C7H6N2O/c10-7-3-2-6-8-4-1-5-9(6)7/h1-3,5H,4H2
InChIKeyZEAQMYZKXKMBKD-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.31
Rot. Bonds

About 2H-pyrrolo[1,2-a]pyrimidin-6-one

2H-pyrrolo[1,2-a]pyrimidin-6-one (PubChem CID 54542236) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 2H-pyrrolo[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name2H-pyrrolo[1,2-a]pyrimidin-6-one
PubChem CID54542236
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name2H-pyrrolo[1,2-a]pyrimidin-6-one
SMILESO=C1C=CC2=NCC=CN12
InChIInChI=1S/C7H6N2O/c10-7-3-2-6-8-4-1-5-9(6)7/h1-3,5H,4H2
InChIKeyZEAQMYZKXKMBKD-UHFFFAOYSA-N
XLogP0.31
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2H-pyrrolo[1,2-a]pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2H-pyrrolo[1,2-a]pyrimidin-6-one?
The IUPAC name of 2H-pyrrolo[1,2-a]pyrimidin-6-one (CID 54542236) is 2H-pyrrolo[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 2H-pyrrolo[1,2-a]pyrimidin-6-one?
The canonical SMILES for 2H-pyrrolo[1,2-a]pyrimidin-6-one is O=C1C=CC2=NCC=CN12.
What is the InChIKey of 2H-pyrrolo[1,2-a]pyrimidin-6-one?
The InChIKey is ZEAQMYZKXKMBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-7-3-2-6-8-4-1-5-9(6)7/h1-3,5H,4H2.
What are the key properties of 2H-pyrrolo[1,2-a]pyrimidin-6-one?
2H-pyrrolo[1,2-a]pyrimidin-6-one has a molecular weight of 134.14 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrolo[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 54542236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).