3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C9H11N3O2 — CID 601119

IUPAC3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1c(N)nc2n(c1=O)CCC2
InChIInChI=1S/C9H11N3O2/c1-5(13)7-8(10)11-6-3-2-4-12(6)9(7)14/h2-4,10H2,1H3
InChIKeyIBHXMSWJALWNIG-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.03
Rot. Bonds1

About 3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 601119) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID601119
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1c(N)nc2n(c1=O)CCC2
InChIInChI=1S/C9H11N3O2/c1-5(13)7-8(10)11-6-3-2-4-12(6)9(7)14/h2-4,10H2,1H3
InChIKeyIBHXMSWJALWNIG-UHFFFAOYSA-N
XLogP-0.03
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-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 3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 601119) is 3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is CC(=O)c1c(N)nc2n(c1=O)CCC2.
What is the InChIKey of 3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is IBHXMSWJALWNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-5(13)7-8(10)11-6-3-2-4-12(6)9(7)14/h2-4,10H2,1H3.
What are the key properties of 3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 193.21 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-amino-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 601119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).