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

C9H12N2O — CID 67475081

IUPAC2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1C)CCC2
InChIInChI=1S/C9H12N2O/c1-6-7(2)10-8-4-3-5-11(8)9(6)12/h3-5H2,1-2H3
InChIKeyPCJAISXDMLCQBL-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.81
Rot. Bonds

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

2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 67475081) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID67475081
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1C)CCC2
InChIInChI=1S/C9H12N2O/c1-6-7(2)10-8-4-3-5-11(8)9(6)12/h3-5H2,1-2H3
InChIKeyPCJAISXDMLCQBL-UHFFFAOYSA-N
XLogP0.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 67475081) is 2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is Cc1nc2n(c(=O)c1C)CCC2.
What is the InChIKey of 2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is PCJAISXDMLCQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-7(2)10-8-4-3-5-11(8)9(6)12/h3-5H2,1-2H3.
What are the key properties of 2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 164.21 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 67475081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).