2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine

C16H18N3O2+ — CID 4919819

IUPAC2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESCCc1nc([NH+]2CCOCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C16H17N3O2/c1-2-13-17-14-11-5-3-4-6-12(11)21-15(14)16(18-13)19-7-9-20-10-8-19/h3-6H,2,7-10H2,1H3/p+1
InChIKeyFDUPCQWCPXNOQH-UHFFFAOYSA-O
MW284.34 g/mol
LogP1.49
Rot. Bonds2

About 2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine

2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 4919819) has the molecular formula C16H18N3O2+ and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID4919819
Molecular FormulaC16H18N3O2+
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESCCc1nc([NH+]2CCOCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C16H17N3O2/c1-2-13-17-14-11-5-3-4-6-12(11)21-15(14)16(18-13)19-7-9-20-10-8-19/h3-6H,2,7-10H2,1H3/p+1
InChIKeyFDUPCQWCPXNOQH-UHFFFAOYSA-O
XLogP1.49
TPSA52.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-dimethylmorpholin-4-ium-4-yl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidine
CID 4872156
(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
2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 3604273
2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 3650028
2-ethyl-4-[4-(3-methylphenyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 4871666
cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium
CID 4916684
N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546532
4-(4-benzylpiperidin-1-ium-1-yl)-2-methyl-[1]benzofuro[3,2-d]pyrimidine chloride
CID 44662132
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 664426
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 6602804

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine (CID 4919819) is 2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine is CCc1nc([NH+]2CCOCC2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is FDUPCQWCPXNOQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17N3O2/c1-2-13-17-14-11-5-3-4-6-12(11)21-15(14)16(18-13)19-7-9-20-10-8-19/h3-6H,2,7-10H2,1H3/p+1.
What are the key properties of 2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine?
2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 284.34 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 4919819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).