1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone

C10H8N4O — CID 155167120

IUPAC1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone
SMILESCC(=O)c1nccnc1-c1ncccn1
InChIInChI=1S/C10H8N4O/c1-7(15)8-9(12-6-5-11-8)10-13-3-2-4-14-10/h2-6H,1H3
InChIKeyZMNISJYRWCOYGF-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.14
Rot. Bonds2

About 1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone

1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone (PubChem CID 155167120) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone
PubChem CID155167120
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone
SMILESCC(=O)c1nccnc1-c1ncccn1
InChIInChI=1S/C10H8N4O/c1-7(15)8-9(12-6-5-11-8)10-13-3-2-4-14-10/h2-6H,1H3
InChIKeyZMNISJYRWCOYGF-UHFFFAOYSA-N
XLogP1.14
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone?
The IUPAC name of 1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone (CID 155167120) is 1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone.
What is the SMILES notation for 1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone?
The canonical SMILES for 1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone is CC(=O)c1nccnc1-c1ncccn1.
What is the InChIKey of 1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone?
The InChIKey is ZMNISJYRWCOYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-7(15)8-9(12-6-5-11-8)10-13-3-2-4-14-10/h2-6H,1H3.
What are the key properties of 1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone?
1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone has a molecular weight of 200.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone is sourced from PubChem (CID 155167120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).