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

C20H17FN4O — CID 4291606

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1ccccc1N1CCN(c2ncnc3c2oc2ccccc23)CC1
InChIInChI=1S/C20H17FN4O/c21-15-6-2-3-7-16(15)24-9-11-25(12-10-24)20-19-18(22-13-23-20)14-5-1-4-8-17(14)26-19/h1-8,13H,9-12H2
InChIKeyGSBVYIHQPDMAED-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.84
Rot. Bonds2

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

4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 4291606) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID4291606
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1ccccc1N1CCN(c2ncnc3c2oc2ccccc23)CC1
InChIInChI=1S/C20H17FN4O/c21-15-6-2-3-7-16(15)24-9-11-25(12-10-24)20-19-18(22-13-23-20)14-5-1-4-8-17(14)26-19/h1-8,13H,9-12H2
InChIKeyGSBVYIHQPDMAED-UHFFFAOYSA-N
XLogP3.84
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 4291606) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is Fc1ccccc1N1CCN(c2ncnc3c2oc2ccccc23)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is GSBVYIHQPDMAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-15-6-2-3-7-16(15)24-9-11-25(12-10-24)20-19-18(22-13-23-20)14-5-1-4-8-17(14)26-19/h1-8,13H,9-12H2.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 348.38 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 4291606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).