2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine

C22H24N4O — CID 21186102

IUPAC2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccc(-c2cccc(CN3CCN(c4ncccn4)CC3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-27-21-8-6-19(7-9-21)20-5-2-4-18(16-20)17-25-12-14-26(15-13-25)22-23-10-3-11-24-22/h2-11,16H,12-15,17H2,1H3
InChIKeyMNVXJRRRFDLIDB-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.47
Rot. Bonds5

About 2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine

2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine (PubChem CID 21186102) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine
PubChem CID21186102
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccc(-c2cccc(CN3CCN(c4ncccn4)CC3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-27-21-8-6-19(7-9-21)20-5-2-4-18(16-20)17-25-12-14-26(15-13-25)22-23-10-3-11-24-22/h2-11,16H,12-15,17H2,1H3
InChIKeyMNVXJRRRFDLIDB-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine (CID 21186102) is 2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine is COc1ccc(-c2cccc(CN3CCN(c4ncccn4)CC3)c2)cc1.
What is the InChIKey of 2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
The InChIKey is MNVXJRRRFDLIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-27-21-8-6-19(7-9-21)20-5-2-4-18(16-20)17-25-12-14-26(15-13-25)22-23-10-3-11-24-22/h2-11,16H,12-15,17H2,1H3.
What are the key properties of 2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine has a molecular weight of 360.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(4-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 21186102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).