4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

C22H22N4O — CID 35784873

IUPAC4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(CCN2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1
InChIInChI=1S/C22H22N4O/c1-2-6-17(7-3-1)10-11-25-12-14-26(15-13-25)22-21-20(23-16-24-22)18-8-4-5-9-19(18)27-21/h1-9,16H,10-15H2
InChIKeyDPQBMIHFJMWUBH-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.74
Rot. Bonds4

About 4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 35784873) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID35784873
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Name4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(CCN2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1
InChIInChI=1S/C22H22N4O/c1-2-6-17(7-3-1)10-11-25-12-14-26(15-13-25)22-21-20(23-16-24-22)18-8-4-5-9-19(18)27-21/h1-9,16H,10-15H2
InChIKeyDPQBMIHFJMWUBH-UHFFFAOYSA-N
XLogP3.74
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 660262
4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 4291606
1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 133285409
2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 34042276
9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine
CID 154853569
4-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 4979349
4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 46797847
4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 71968536
4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one
CID 11837123
(2S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 6546523
2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile
CID 133497761
4-[4-(2,3-dimethylphenyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 4918092

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 35784873) is 4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(CCN2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is DPQBMIHFJMWUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-2-6-17(7-3-1)10-11-25-12-14-26(15-13-25)22-21-20(23-16-24-22)18-8-4-5-9-19(18)27-21/h1-9,16H,10-15H2.
What are the key properties of 4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 358.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 35784873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).