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

C21H20N4O2 — CID 664216

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3c2oc2ccccc23)CC1
InChIInChI=1S/C21H20N4O2/c1-26-18-9-5-3-7-16(18)24-10-12-25(13-11-24)21-20-19(22-14-23-21)15-6-2-4-8-17(15)27-20/h2-9,14H,10-13H2,1H3
InChIKeyPCBMMVAJNAKTOQ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.71
Rot. Bonds3

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

4-[4-(2-methoxyphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 664216) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID664216
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3c2oc2ccccc23)CC1
InChIInChI=1S/C21H20N4O2/c1-26-18-9-5-3-7-16(18)24-10-12-25(13-11-24)21-20-19(22-14-23-21)15-6-2-4-8-17(15)27-20/h2-9,14H,10-13H2,1H3
InChIKeyPCBMMVAJNAKTOQ-UHFFFAOYSA-N
XLogP3.71
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 664216) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is COc1ccccc1N1CCN(c2ncnc3c2oc2ccccc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is PCBMMVAJNAKTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-26-18-9-5-3-7-16(18)24-10-12-25(13-11-24)21-20-19(22-14-23-21)15-6-2-4-8-17(15)27-20/h2-9,14H,10-13H2,1H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 360.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 664216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).