5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine

C22H24N4 — CID 53317608

IUPAC5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine
SMILESc1ccc(Cc2cnc(N3CCN(Cc4ccccc4)CC3)nc2)cc1
InChIInChI=1S/C22H24N4/c1-3-7-19(8-4-1)15-21-16-23-22(24-17-21)26-13-11-25(12-14-26)18-20-9-5-2-6-10-20/h1-10,16-17H,11-15,18H2
InChIKeyKFZJUJOEWNJBFA-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.39
Rot. Bonds5

About 5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine

5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine (PubChem CID 53317608) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine
PubChem CID53317608
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine
SMILESc1ccc(Cc2cnc(N3CCN(Cc4ccccc4)CC3)nc2)cc1
InChIInChI=1S/C22H24N4/c1-3-7-19(8-4-1)15-21-16-23-22(24-17-21)26-13-11-25(12-14-26)18-20-9-5-2-6-10-20/h1-10,16-17H,11-15,18H2
InChIKeyKFZJUJOEWNJBFA-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine (CID 53317608) is 5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine is c1ccc(Cc2cnc(N3CCN(Cc4ccccc4)CC3)nc2)cc1.
What is the InChIKey of 5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine?
The InChIKey is KFZJUJOEWNJBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-3-7-19(8-4-1)15-21-16-23-22(24-17-21)26-13-11-25(12-14-26)18-20-9-5-2-6-10-20/h1-10,16-17H,11-15,18H2.
What are the key properties of 5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine?
5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine has a molecular weight of 344.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(4-benzylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 53317608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).