1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone

C19H20N2O — CID 148514138

IUPAC1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1cc(-c2cccc(CC(C)C)c2)c2ncccn12
InChIInChI=1S/C19H20N2O/c1-13(2)10-15-6-4-7-16(11-15)17-12-18(14(3)22)21-9-5-8-20-19(17)21/h4-9,11-13H,10H2,1-3H3
InChIKeyMNCDOYZCNGXELG-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.40
Rot. Bonds4

About 1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone

1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone (PubChem CID 148514138) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone
PubChem CID148514138
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1cc(-c2cccc(CC(C)C)c2)c2ncccn12
InChIInChI=1S/C19H20N2O/c1-13(2)10-15-6-4-7-16(11-15)17-12-18(14(3)22)21-9-5-8-20-19(17)21/h4-9,11-13H,10H2,1-3H3
InChIKeyMNCDOYZCNGXELG-UHFFFAOYSA-N
XLogP4.40
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone (CID 148514138) is 1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone is CC(=O)c1cc(-c2cccc(CC(C)C)c2)c2ncccn12.
What is the InChIKey of 1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone?
The InChIKey is MNCDOYZCNGXELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13(2)10-15-6-4-7-16(11-15)17-12-18(14(3)22)21-9-5-8-20-19(17)21/h4-9,11-13H,10H2,1-3H3.
What are the key properties of 1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone?
1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone has a molecular weight of 292.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[3-(2-methylpropyl)phenyl]pyrrolo[1,2-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 148514138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).