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

C21H20N4O — CID 661358

IUPAC4-(4-methylpiperazin-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCN1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1
InChIInChI=1S/C21H20N4O/c1-24-11-13-25(14-12-24)21-19-18(16-9-5-6-10-17(16)26-19)22-20(23-21)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyCBUUEZPMVUFWCA-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.79
Rot. Bonds2

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

4-(4-methylpiperazin-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 661358) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID661358
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-(4-methylpiperazin-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCN1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1
InChIInChI=1S/C21H20N4O/c1-24-11-13-25(14-12-24)21-19-18(16-9-5-6-10-17(16)26-19)22-20(23-21)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyCBUUEZPMVUFWCA-UHFFFAOYSA-N
XLogP3.79
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 661358) is 4-(4-methylpiperazin-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is CN1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is CBUUEZPMVUFWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-24-11-13-25(14-12-24)21-19-18(16-9-5-6-10-17(16)26-19)22-20(23-21)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
4-(4-methylpiperazin-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 344.42 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 661358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).