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

C15H15FN2O — CID 125450833

IUPAC2-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one
SMILESCC1(C)Cc2nc(-c3ccc(F)cc3)cc(=O)n2C1
InChIInChI=1S/C15H15FN2O/c1-15(2)8-13-17-12(7-14(19)18(13)9-15)10-3-5-11(16)6-4-10/h3-7H,8-9H2,1-2H3
InChIKeyRBBZYENIGMBUNH-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.63
Rot. Bonds1

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

2-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 125450833) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one
PubChem CID125450833
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one
SMILESCC1(C)Cc2nc(-c3ccc(F)cc3)cc(=O)n2C1
InChIInChI=1S/C15H15FN2O/c1-15(2)8-13-17-12(7-14(19)18(13)9-15)10-3-5-11(16)6-4-10/h3-7H,8-9H2,1-2H3
InChIKeyRBBZYENIGMBUNH-UHFFFAOYSA-N
XLogP2.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one (CID 125450833) is 2-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one is CC1(C)Cc2nc(-c3ccc(F)cc3)cc(=O)n2C1.
What is the InChIKey of 2-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is RBBZYENIGMBUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-15(2)8-13-17-12(7-14(19)18(13)9-15)10-3-5-11(16)6-4-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one?
2-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 258.30 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 125450833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).