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

C18H22N3O+ — CID 4916684

IUPACcyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium
SMILESCCc1nc([NH2+]C2CCCCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C18H21N3O/c1-2-15-20-16-13-10-6-7-11-14(13)22-17(16)18(21-15)19-12-8-4-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20,21)/p+1
InChIKeyZIFFMNQCGYNRPI-UHFFFAOYSA-O
MW296.39 g/mol
LogP3.47
Rot. Bonds3

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

cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium (PubChem CID 4916684) has the molecular formula C18H22N3O+ and a molecular weight of 296.39 g/mol. Its IUPAC name is cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium.

Molecular Properties

Compound Namecyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium
PubChem CID4916684
Molecular FormulaC18H22N3O+
Molecular Weight296.39 g/mol
Exact Mass296.18
IUPAC Namecyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium
SMILESCCc1nc([NH2+]C2CCCCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C18H21N3O/c1-2-15-20-16-13-10-6-7-11-14(13)22-17(16)18(21-15)19-12-8-4-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20,21)/p+1
InChIKeyZIFFMNQCGYNRPI-UHFFFAOYSA-O
XLogP3.47
TPSA55.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride
CID 44663518
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 664426
2-ethyl-4-[(3R)-3-methylpiperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 6546581
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 6602804
2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4671621
2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 170017001
(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium
CID 4976806
(1-carboxy-3-methylsulfanylpropyl)-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium
CID 4872105
4-(2,6-dimethylmorpholin-4-ium-4-yl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidine
CID 4872156
3-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azaniumyl]benzoate
CID 44664615
2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine
CID 4919819
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 cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium?
The IUPAC name of cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium (CID 4916684) is cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium.
What is the SMILES notation for cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium?
The canonical SMILES for cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium is CCc1nc([NH2+]C2CCCCC2)c2oc3ccccc3c2n1.
What is the InChIKey of cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium?
The InChIKey is ZIFFMNQCGYNRPI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21N3O/c1-2-15-20-16-13-10-6-7-11-14(13)22-17(16)18(21-15)19-12-8-4-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20,21)/p+1.
What are the key properties of cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium?
cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium has a molecular weight of 296.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium is sourced from PubChem (CID 4916684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).