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

C23H24N4O — CID 3650028

IUPAC2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCCc1nc(N2CCN(c3ccc(C)cc3)CC2)c2oc3ccccc3c2n1
InChIInChI=1S/C23H24N4O/c1-3-20-24-21-18-6-4-5-7-19(18)28-22(21)23(25-20)27-14-12-26(13-15-27)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3
InChIKeyYHZCYQPGGJEDPJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.57
Rot. Bonds3

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

2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 3650028) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID3650028
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCCc1nc(N2CCN(c3ccc(C)cc3)CC2)c2oc3ccccc3c2n1
InChIInChI=1S/C23H24N4O/c1-3-20-24-21-18-6-4-5-7-19(18)28-22(21)23(25-20)27-14-12-26(13-15-27)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3
InChIKeyYHZCYQPGGJEDPJ-UHFFFAOYSA-N
XLogP4.57
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 3650028) is 2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is CCc1nc(N2CCN(c3ccc(C)cc3)CC2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is YHZCYQPGGJEDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-3-20-24-21-18-6-4-5-7-19(18)28-22(21)23(25-20)27-14-12-26(13-15-27)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3.
What are the key properties of 2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 372.47 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 3650028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).