1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone

C10H9F2N3O — CID 145225305

IUPAC1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone
SMILESCC(=O)c1ncn2ccc(C(C)(F)F)nc12
InChIInChI=1S/C10H9F2N3O/c1-6(16)8-9-14-7(10(2,11)12)3-4-15(9)5-13-8/h3-5H,1-2H3
InChIKeyACBQMOCBNTWDTN-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.04
Rot. Bonds2

About 1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone

1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone (PubChem CID 145225305) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone
PubChem CID145225305
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone
SMILESCC(=O)c1ncn2ccc(C(C)(F)F)nc12
InChIInChI=1S/C10H9F2N3O/c1-6(16)8-9-14-7(10(2,11)12)3-4-15(9)5-13-8/h3-5H,1-2H3
InChIKeyACBQMOCBNTWDTN-UHFFFAOYSA-N
XLogP2.04
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone?
The IUPAC name of 1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone (CID 145225305) is 1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone is CC(=O)c1ncn2ccc(C(C)(F)F)nc12.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone?
The InChIKey is ACBQMOCBNTWDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-6(16)8-9-14-7(10(2,11)12)3-4-15(9)5-13-8/h3-5H,1-2H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone?
1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone has a molecular weight of 225.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone is sourced from PubChem (CID 145225305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).