(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride

C20H20ClN3O — CID 44663518

IUPAC(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride
SMILESCCc1nc([NH2+]CCc2ccccc2)c2oc3ccccc3c2n1.[Cl-]
InChIInChI=1S/C20H19N3O.ClH/c1-2-17-22-18-15-10-6-7-11-16(15)24-19(18)20(23-17)21-13-12-14-8-4-3-5-9-14;/h3-11H,2,12-13H2,1H3,(H,21,22,23);1H
InChIKeyRDCMIAOYQDJFBA-UHFFFAOYSA-N
MW353.85 g/mol
LogP0.38
Rot. Bonds5

About (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride

(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride (PubChem CID 44663518) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride.

Molecular Properties

Compound Name(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride
PubChem CID44663518
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride
SMILESCCc1nc([NH2+]CCc2ccccc2)c2oc3ccccc3c2n1.[Cl-]
InChIInChI=1S/C20H19N3O.ClH/c1-2-17-22-18-15-10-6-7-11-16(15)24-19(18)20(23-17)21-13-12-14-8-4-3-5-9-14;/h3-11H,2,12-13H2,1H3,(H,21,22,23);1H
InChIKeyRDCMIAOYQDJFBA-UHFFFAOYSA-N
XLogP0.38
TPSA55.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium
CID 4916684
3-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azaniumyl]benzoate
CID 44664615
(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium
CID 4976806
2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 170017001
2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4671621
(1-carboxy-3-methylsulfanylpropyl)-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium
CID 4872105
[3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride
CID 44661013
2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine
CID 4919819
N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546532
2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 3604273
2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 99987933
1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid;hydrochloride
CID 52994844

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride?
The IUPAC name of (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride (CID 44663518) is (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride.
What is the SMILES notation for (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride?
The canonical SMILES for (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride is CCc1nc([NH2+]CCc2ccccc2)c2oc3ccccc3c2n1.[Cl-].
What is the InChIKey of (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride?
The InChIKey is RDCMIAOYQDJFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O.ClH/c1-2-17-22-18-15-10-6-7-11-16(15)24-19(18)20(23-17)21-13-12-14-8-4-3-5-9-14;/h3-11H,2,12-13H2,1H3,(H,21,22,23);1H.
What are the key properties of (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride?
(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride has a molecular weight of 353.85 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride is sourced from PubChem (CID 44663518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).