1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone

C11H10N2O — CID 143921972

IUPAC1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)C1=C(C)C=C=C2N=CC=CN21
InChIInChI=1S/C11H10N2O/c1-8-4-5-10-12-6-3-7-13(10)11(8)9(2)14/h3-4,6-7H,1-2H3
InChIKeyJDCQAFJYHUMHNH-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.76
Rot. Bonds1

About 1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone

1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone (PubChem CID 143921972) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone
PubChem CID143921972
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)C1=C(C)C=C=C2N=CC=CN21
InChIInChI=1S/C11H10N2O/c1-8-4-5-10-12-6-3-7-13(10)11(8)9(2)14/h3-4,6-7H,1-2H3
InChIKeyJDCQAFJYHUMHNH-UHFFFAOYSA-N
XLogP1.76
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone (CID 143921972) is 1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone is CC(=O)C1=C(C)C=C=C2N=CC=CN21.
What is the InChIKey of 1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone?
The InChIKey is JDCQAFJYHUMHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8-4-5-10-12-6-3-7-13(10)11(8)9(2)14/h3-4,6-7H,1-2H3.
What are the key properties of 1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone?
1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone has a molecular weight of 186.21 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 1-(7-methylpyrido[1,2-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 143921972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).