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

C8H9N3O2 — CID 89156562

IUPAC4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1cc(=O)n2c(n1)CCC2
InChIInChI=1S/C8H9N3O2/c9-8(13)5-4-7(12)11-3-1-2-6(11)10-5/h4H,1-3H2,(H2,9,13)
InChIKeyNGBMLMIEJGFBHO-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.71
Rot. Bonds1

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

4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 89156562) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide
PubChem CID89156562
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1cc(=O)n2c(n1)CCC2
InChIInChI=1S/C8H9N3O2/c9-8(13)5-4-7(12)11-3-1-2-6(11)10-5/h4H,1-3H2,(H2,9,13)
InChIKeyNGBMLMIEJGFBHO-UHFFFAOYSA-N
XLogP-0.71
TPSA77.98 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 ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide (CID 89156562) is 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide is NC(=O)c1cc(=O)n2c(n1)CCC2.
What is the InChIKey of 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is NGBMLMIEJGFBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-8(13)5-4-7(12)11-3-1-2-6(11)10-5/h4H,1-3H2,(H2,9,13).
What are the key properties of 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide?
4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 179.18 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 89156562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).