1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone

C11H10N4O — CID 155176516

IUPAC1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone
SMILESCC(=O)c1nccnc1-c1ncc(C)cn1
InChIInChI=1S/C11H10N4O/c1-7-5-14-11(15-6-7)10-9(8(2)16)12-3-4-13-10/h3-6H,1-2H3
InChIKeyVNFVJCBXXYLKCV-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.44
Rot. Bonds2

About 1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone

1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone (PubChem CID 155176516) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone
PubChem CID155176516
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone
SMILESCC(=O)c1nccnc1-c1ncc(C)cn1
InChIInChI=1S/C11H10N4O/c1-7-5-14-11(15-6-7)10-9(8(2)16)12-3-4-13-10/h3-6H,1-2H3
InChIKeyVNFVJCBXXYLKCV-UHFFFAOYSA-N
XLogP1.44
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone?
The IUPAC name of 1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone (CID 155176516) is 1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone.
What is the SMILES notation for 1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone?
The canonical SMILES for 1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone is CC(=O)c1nccnc1-c1ncc(C)cn1.
What is the InChIKey of 1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone?
The InChIKey is VNFVJCBXXYLKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-7-5-14-11(15-6-7)10-9(8(2)16)12-3-4-13-10/h3-6H,1-2H3.
What are the key properties of 1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone?
1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone has a molecular weight of 214.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methylpyrimidin-2-yl)pyrazin-2-yl]ethanone is sourced from PubChem (CID 155176516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).