phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C15H16N4O — CID 2368501

IUPACphenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H16N4O/c20-14(13-5-2-1-3-6-13)18-9-11-19(12-10-18)15-16-7-4-8-17-15/h1-8H,9-12H2
InChIKeyUVRGBFKYBAZGMZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.44
Rot. Bonds2

About phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 2368501) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID2368501
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Namephenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H16N4O/c20-14(13-5-2-1-3-6-13)18-9-11-19(12-10-18)15-16-7-4-8-17-15/h1-8H,9-12H2
InChIKeyUVRGBFKYBAZGMZ-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 2368501) is phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UVRGBFKYBAZGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c20-14(13-5-2-1-3-6-13)18-9-11-19(12-10-18)15-16-7-4-8-17-15/h1-8H,9-12H2.
What are the key properties of phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 268.32 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2368501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).