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

C20H18N4O — CID 2877644

IUPAC4-(4-phenylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1
InChIInChI=1S/C20H18N4O/c1-2-6-15(7-3-1)23-10-12-24(13-11-23)20-19-18(21-14-22-20)16-8-4-5-9-17(16)25-19/h1-9,14H,10-13H2
InChIKeyHBHHOFOOVLKNGC-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.70
Rot. Bonds2

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

4-(4-phenylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 2877644) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID2877644
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name4-(4-phenylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1
InChIInChI=1S/C20H18N4O/c1-2-6-15(7-3-1)23-10-12-24(13-11-23)20-19-18(21-14-22-20)16-8-4-5-9-17(16)25-19/h1-9,14H,10-13H2
InChIKeyHBHHOFOOVLKNGC-UHFFFAOYSA-N
XLogP3.70
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 2877644) is 4-(4-phenylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is HBHHOFOOVLKNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-6-15(7-3-1)23-10-12-24(13-11-23)20-19-18(21-14-22-20)16-8-4-5-9-17(16)25-19/h1-9,14H,10-13H2.
What are the key properties of 4-(4-phenylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
4-(4-phenylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 330.39 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 2877644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).