[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone

C22H22N4O — CID 15950792

IUPAC[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCc1ccnc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1
InChIInChI=1S/C22H22N4O/c1-17-11-12-23-22(24-17)26-15-13-25(14-16-26)21(27)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-12H,13-16H2,1H3
InChIKeyPGUATYSTQZJBIB-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.41
Rot. Bonds3

About [4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone

[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 15950792) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is [4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID15950792
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCc1ccnc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1
InChIInChI=1S/C22H22N4O/c1-17-11-12-23-22(24-17)26-15-13-25(14-16-26)21(27)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-12H,13-16H2,1H3
InChIKeyPGUATYSTQZJBIB-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-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone (CID 15950792) is [4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone is Cc1ccnc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1.
What is the InChIKey of [4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is PGUATYSTQZJBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-17-11-12-23-22(24-17)26-15-13-25(14-16-26)21(27)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-12H,13-16H2,1H3.
What are the key properties of [4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)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-(4-methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 15950792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).