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

C14H16N3O+ — CID 4976806

IUPAC(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium
SMILESCCc1nc([NH+](C)C)c2oc3ccccc3c2n1
InChIInChI=1S/C14H15N3O/c1-4-11-15-12-9-7-5-6-8-10(9)18-13(12)14(16-11)17(2)3/h5-8H,4H2,1-3H3/p+1
InChIKeyLPGPQWYYCGMSSW-UHFFFAOYSA-O
MW242.30 g/mol
LogP1.71
Rot. Bonds2

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

(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium (PubChem CID 4976806) has the molecular formula C14H16N3O+ and a molecular weight of 242.30 g/mol. Its IUPAC name is (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium.

Molecular Properties

Compound Name(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium
PubChem CID4976806
Molecular FormulaC14H16N3O+
Molecular Weight242.30 g/mol
Exact Mass242.13
IUPAC Name(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium
SMILESCCc1nc([NH+](C)C)c2oc3ccccc3c2n1
InChIInChI=1S/C14H15N3O/c1-4-11-15-12-9-7-5-6-8-10(9)18-13(12)14(16-11)17(2)3/h5-8H,4H2,1-3H3/p+1
InChIKeyLPGPQWYYCGMSSW-UHFFFAOYSA-O
XLogP1.71
TPSA43.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-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
4-(2,6-dimethylmorpholin-4-ium-4-yl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidine
CID 4872156
2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol;hydrochloride
CID 24761132
(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride
CID 44663518
cyclohexyl-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium
CID 4916684
2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 171560459
2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 99987933
2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 3650028

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium?
The IUPAC name of (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium (CID 4976806) is (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium.
What is the SMILES notation for (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium?
The canonical SMILES for (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium is CCc1nc([NH+](C)C)c2oc3ccccc3c2n1.
What is the InChIKey of (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium?
The InChIKey is LPGPQWYYCGMSSW-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15N3O/c1-4-11-15-12-9-7-5-6-8-10(9)18-13(12)14(16-11)17(2)3/h5-8H,4H2,1-3H3/p+1.
What are the key properties of (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium?
(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium has a molecular weight of 242.30 g/mol, XLogP of 1.71, 2 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)-dimethylazanium is sourced from PubChem (CID 4976806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).