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

C17H22N4O2 — CID 7080829

IUPAC6-(4-benzylpiperazin-1-yl)-3-ethyl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C17H22N4O2/c1-2-21-16(22)12-15(18-17(21)23)20-10-8-19(9-11-20)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,18,23)
InChIKeyFPXZVDQBYNAOKT-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.88
Rot. Bonds4

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

6-(4-benzylpiperazin-1-yl)-3-ethyl-1H-pyrimidine-2,4-dione (PubChem CID 7080829) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)-3-ethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)-3-ethyl-1H-pyrimidine-2,4-dione
PubChem CID7080829
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-(4-benzylpiperazin-1-yl)-3-ethyl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C17H22N4O2/c1-2-21-16(22)12-15(18-17(21)23)20-10-8-19(9-11-20)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,18,23)
InChIKeyFPXZVDQBYNAOKT-UHFFFAOYSA-N
XLogP0.88
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.88
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-ethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)-3-ethyl-1H-pyrimidine-2,4-dione (CID 7080829) is 6-(4-benzylpiperazin-1-yl)-3-ethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)-3-ethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)-3-ethyl-1H-pyrimidine-2,4-dione is CCn1c(=O)cc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)-3-ethyl-1H-pyrimidine-2,4-dione?
The InChIKey is FPXZVDQBYNAOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-21-16(22)12-15(18-17(21)23)20-10-8-19(9-11-20)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,18,23).
What are the key properties of 6-(4-benzylpiperazin-1-yl)-3-ethyl-1H-pyrimidine-2,4-dione?
6-(4-benzylpiperazin-1-yl)-3-ethyl-1H-pyrimidine-2,4-dione has a molecular weight of 314.39 g/mol, XLogP of 0.88, 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-ethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 7080829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).