2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine

C21H22N4 — CID 764664

IUPAC2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESc1ccc(-c2ccc(CN3CCN(c4ncccn4)CC3)cc2)cc1
InChIInChI=1S/C21H22N4/c1-2-5-19(6-3-1)20-9-7-18(8-10-20)17-24-13-15-25(16-14-24)21-22-11-4-12-23-21/h1-12H,13-17H2
InChIKeyXQGAXJSGYIKDFT-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.47
Rot. Bonds4

About 2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 764664) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID764664
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESc1ccc(-c2ccc(CN3CCN(c4ncccn4)CC3)cc2)cc1
InChIInChI=1S/C21H22N4/c1-2-5-19(6-3-1)20-9-7-18(8-10-20)17-24-13-15-25(16-14-24)21-22-11-4-12-23-21/h1-12H,13-17H2
InChIKeyXQGAXJSGYIKDFT-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine (CID 764664) is 2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine is c1ccc(-c2ccc(CN3CCN(c4ncccn4)CC3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is XQGAXJSGYIKDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-5-19(6-3-1)20-9-7-18(8-10-20)17-24-13-15-25(16-14-24)21-22-11-4-12-23-21/h1-12H,13-17H2.
What are the key properties of 2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 330.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 764664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).