2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C8H8F2N2O — CID 125450303

IUPAC2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)F)nc2n1CCC2
InChIInChI=1S/C8H8F2N2O/c9-8(10)5-4-7(13)12-3-1-2-6(12)11-5/h4,8H,1-3H2
InChIKeyJXUASYVYGSYICP-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.13
Rot. Bonds1

About 2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 125450303) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID125450303
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)F)nc2n1CCC2
InChIInChI=1S/C8H8F2N2O/c9-8(10)5-4-7(13)12-3-1-2-6(12)11-5/h4,8H,1-3H2
InChIKeyJXUASYVYGSYICP-UHFFFAOYSA-N
XLogP1.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 125450303) is 2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is O=c1cc(C(F)F)nc2n1CCC2.
What is the InChIKey of 2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is JXUASYVYGSYICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c9-8(10)5-4-7(13)12-3-1-2-6(12)11-5/h4,8H,1-3H2.
What are the key properties of 2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 186.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 125450303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).