1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one

C19H17N5O — CID 56767355

IUPAC1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one
SMILESO=C1CCN(c2cc(-c3ccccc3)nc(-c3cnccn3)n2)CC1
InChIInChI=1S/C19H17N5O/c25-15-6-10-24(11-7-15)18-12-16(14-4-2-1-3-5-14)22-19(23-18)17-13-20-8-9-21-17/h1-5,8-9,12-13H,6-7,10-11H2
InChIKeyZORMSTQWNANVGS-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.77
Rot. Bonds3

About 1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one

1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one (PubChem CID 56767355) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one
PubChem CID56767355
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one
SMILESO=C1CCN(c2cc(-c3ccccc3)nc(-c3cnccn3)n2)CC1
InChIInChI=1S/C19H17N5O/c25-15-6-10-24(11-7-15)18-12-16(14-4-2-1-3-5-14)22-19(23-18)17-13-20-8-9-21-17/h1-5,8-9,12-13H,6-7,10-11H2
InChIKeyZORMSTQWNANVGS-UHFFFAOYSA-N
XLogP2.77
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one?
The IUPAC name of 1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one (CID 56767355) is 1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one.
What is the SMILES notation for 1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one?
The canonical SMILES for 1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one is O=C1CCN(c2cc(-c3ccccc3)nc(-c3cnccn3)n2)CC1.
What is the InChIKey of 1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one?
The InChIKey is ZORMSTQWNANVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c25-15-6-10-24(11-7-15)18-12-16(14-4-2-1-3-5-14)22-19(23-18)17-13-20-8-9-21-17/h1-5,8-9,12-13H,6-7,10-11H2.
What are the key properties of 1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one?
1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one has a molecular weight of 331.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one is sourced from PubChem (CID 56767355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).