2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one

C10H12F2N2O — CID 125450342

IUPAC2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one
SMILESCC1(C)Cc2nc(C(F)F)cc(=O)n2C1
InChIInChI=1S/C10H12F2N2O/c1-10(2)4-7-13-6(9(11)12)3-8(15)14(7)5-10/h3,9H,4-5H2,1-2H3
InChIKeyKXHRGXOBIHVJST-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.76
Rot. Bonds1

About 2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one

2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 125450342) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one
PubChem CID125450342
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one
SMILESCC1(C)Cc2nc(C(F)F)cc(=O)n2C1
InChIInChI=1S/C10H12F2N2O/c1-10(2)4-7-13-6(9(11)12)3-8(15)14(7)5-10/h3,9H,4-5H2,1-2H3
InChIKeyKXHRGXOBIHVJST-UHFFFAOYSA-N
XLogP1.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one (CID 125450342) is 2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one is CC1(C)Cc2nc(C(F)F)cc(=O)n2C1.
What is the InChIKey of 2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is KXHRGXOBIHVJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-10(2)4-7-13-6(9(11)12)3-8(15)14(7)5-10/h3,9H,4-5H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one?
2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 214.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 125450342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).