1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone

C15H12N2O — CID 139373664

IUPAC1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)c2ncccn12
InChIInChI=1S/C15H12N2O/c1-11(18)14-10-13(12-6-3-2-4-7-12)15-16-8-5-9-17(14)15/h2-10H,1H3
InChIKeyFPBCLTMMKANZAZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.20
Rot. Bonds2

About 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone

1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone (PubChem CID 139373664) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
PubChem CID139373664
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)c2ncccn12
InChIInChI=1S/C15H12N2O/c1-11(18)14-10-13(12-6-3-2-4-7-12)15-16-8-5-9-17(14)15/h2-10H,1H3
InChIKeyFPBCLTMMKANZAZ-UHFFFAOYSA-N
XLogP3.20
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone (CID 139373664) is 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone is CC(=O)c1cc(-c2ccccc2)c2ncccn12.
What is the InChIKey of 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone?
The InChIKey is FPBCLTMMKANZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11(18)14-10-13(12-6-3-2-4-7-12)15-16-8-5-9-17(14)15/h2-10H,1H3.
What are the key properties of 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone?
1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone has a molecular weight of 236.27 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 139373664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).