3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

C22H24N4O3 — CID 3238249

IUPAC3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(=O)cc(N3CCN(c4ccccc4)CC3)[nH]c2=O)cc1
InChIInChI=1S/C22H24N4O3/c1-2-29-19-10-8-18(9-11-19)26-21(27)16-20(23-22(26)28)25-14-12-24(13-15-25)17-6-4-3-5-7-17/h3-11,16H,2,12-15H2,1H3,(H,23,28)
InChIKeyNWNRAAPUXYKKKA-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.25
Rot. Bonds5

About 3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 3238249) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID3238249
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(=O)cc(N3CCN(c4ccccc4)CC3)[nH]c2=O)cc1
InChIInChI=1S/C22H24N4O3/c1-2-29-19-10-8-18(9-11-19)26-21(27)16-20(23-22(26)28)25-14-12-24(13-15-25)17-6-4-3-5-7-17/h3-11,16H,2,12-15H2,1H3,(H,23,28)
InChIKeyNWNRAAPUXYKKKA-UHFFFAOYSA-N
XLogP2.25
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (CID 3238249) is 3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is CCOc1ccc(-n2c(=O)cc(N3CCN(c4ccccc4)CC3)[nH]c2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is NWNRAAPUXYKKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-29-19-10-8-18(9-11-19)26-21(27)16-20(23-22(26)28)25-14-12-24(13-15-25)17-6-4-3-5-7-17/h3-11,16H,2,12-15H2,1H3,(H,23,28).
What are the key properties of 3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 392.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3238249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).