6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione

C22H24N4O2 — CID 7080748

IUPAC6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)cc(N3CCN(Cc4ccccc4)CC3)[nH]c2=O)cc1
InChIInChI=1S/C22H24N4O2/c1-17-7-9-19(10-8-17)26-21(27)15-20(23-22(26)28)25-13-11-24(12-14-25)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,23,28)
InChIKeyVJSLGRKWJBDITA-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.16
Rot. Bonds4

About 6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione

6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 7080748) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID7080748
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)cc(N3CCN(Cc4ccccc4)CC3)[nH]c2=O)cc1
InChIInChI=1S/C22H24N4O2/c1-17-7-9-19(10-8-17)26-21(27)15-20(23-22(26)28)25-13-11-24(12-14-25)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,23,28)
InChIKeyVJSLGRKWJBDITA-UHFFFAOYSA-N
XLogP2.16
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione (CID 7080748) is 6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione is Cc1ccc(-n2c(=O)cc(N3CCN(Cc4ccccc4)CC3)[nH]c2=O)cc1.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is VJSLGRKWJBDITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-17-7-9-19(10-8-17)26-21(27)15-20(23-22(26)28)25-13-11-24(12-14-25)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,23,28).
What are the key properties of 6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione?
6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 376.46 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 7080748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).