7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

C8H9N3O2 — CID 157328497

IUPAC7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESNC(=O)C1C(=O)CC2=NC=CCN21
InChIInChI=1S/C8H9N3O2/c9-8(13)7-5(12)4-6-10-2-1-3-11(6)7/h1-2,7H,3-4H2,(H2,9,13)
InChIKeyBEZURMTWERHSJL-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.96
Rot. Bonds1

About 7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 157328497) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
PubChem CID157328497
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESNC(=O)C1C(=O)CC2=NC=CCN21
InChIInChI=1S/C8H9N3O2/c9-8(13)7-5(12)4-6-10-2-1-3-11(6)7/h1-2,7H,3-4H2,(H2,9,13)
InChIKeyBEZURMTWERHSJL-UHFFFAOYSA-N
XLogP-0.96
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide 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 7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 157328497) is 7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is NC(=O)C1C(=O)CC2=NC=CCN21.
What is the InChIKey of 7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is BEZURMTWERHSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-8(13)7-5(12)4-6-10-2-1-3-11(6)7/h1-2,7H,3-4H2,(H2,9,13).
What are the key properties of 7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 179.18 g/mol, XLogP of -0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6,8-dihydro-4H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 157328497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).