[4-(2-methylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C22H22N4O — CID 15951124

IUPAC[4-(2-methylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccccc1-c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C22H22N4O/c1-17-5-2-3-6-20(17)18-7-9-19(10-8-18)21(27)25-13-15-26(16-14-25)22-23-11-4-12-24-22/h2-12H,13-16H2,1H3
InChIKeyMIPXMANSKCUCCX-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.41
Rot. Bonds3

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

[4-(2-methylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 15951124) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is [4-(2-methylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID15951124
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name[4-(2-methylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccccc1-c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C22H22N4O/c1-17-5-2-3-6-20(17)18-7-9-19(10-8-18)21(27)25-13-15-26(16-14-25)22-23-11-4-12-24-22/h2-12H,13-16H2,1H3
InChIKeyMIPXMANSKCUCCX-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(2-methylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 15951124) is [4-(2-methylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(2-methylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(2-methylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1ccccc1-c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of [4-(2-methylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is MIPXMANSKCUCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-17-5-2-3-6-20(17)18-7-9-19(10-8-18)21(27)25-13-15-26(16-14-25)22-23-11-4-12-24-22/h2-12H,13-16H2,1H3.
What are the key properties of [4-(2-methylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[4-(2-methylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 358.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 15951124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).