dimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium

C20H20N3O2+ — CID 7112001

IUPACdimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium
SMILESC[NH+](C)CCOc1nc(-c2ccccc2)nc2c1oc1ccccc12
InChIInChI=1S/C20H19N3O2/c1-23(2)12-13-24-20-18-17(15-10-6-7-11-16(15)25-18)21-19(22-20)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3/p+1
InChIKeySWFVWROOFHMFAB-UHFFFAOYSA-O
MW334.40 g/mol
LogP2.57
Rot. Bonds5

About dimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium

dimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium (PubChem CID 7112001) has the molecular formula C20H20N3O2+ and a molecular weight of 334.40 g/mol. Its IUPAC name is dimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium
PubChem CID7112001
Molecular FormulaC20H20N3O2+
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC Namedimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium
SMILESC[NH+](C)CCOc1nc(-c2ccccc2)nc2c1oc1ccccc12
InChIInChI=1S/C20H19N3O2/c1-23(2)12-13-24-20-18-17(15-10-6-7-11-16(15)25-18)21-19(22-20)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3/p+1
InChIKeySWFVWROOFHMFAB-UHFFFAOYSA-O
XLogP2.57
TPSA52.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze dimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 22586552
4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
diethyl-[3-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]propyl]azanium chloride
CID 44664696
2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489746
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489637
2-phenyl-4-[3-[3-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489509
N-(3-methylbutyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3769904
2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 2024503
4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118229247

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium?
The IUPAC name of dimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium (CID 7112001) is dimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium is C[NH+](C)CCOc1nc(-c2ccccc2)nc2c1oc1ccccc12.
What is the InChIKey of dimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium?
The InChIKey is SWFVWROOFHMFAB-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H19N3O2/c1-23(2)12-13-24-20-18-17(15-10-6-7-11-16(15)25-18)21-19(22-20)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3/p+1.
What are the key properties of dimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium?
dimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium has a molecular weight of 334.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethyl]azanium is sourced from PubChem (CID 7112001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).