2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine

C14H14N2O2 — CID 171560459

IUPAC2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCCOCc1nc(C)c2oc3ccccc3c2n1
InChIInChI=1S/C14H14N2O2/c1-3-17-8-12-15-9(2)14-13(16-12)10-6-4-5-7-11(10)18-14/h4-7H,3,8H2,1-2H3
InChIKeyHFOTYRMVRNCALF-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.22
Rot. Bonds3

About 2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine

2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 171560459) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID171560459
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCCOCc1nc(C)c2oc3ccccc3c2n1
InChIInChI=1S/C14H14N2O2/c1-3-17-8-12-15-9(2)14-13(16-12)10-6-4-5-7-11(10)18-14/h4-7H,3,8H2,1-2H3
InChIKeyHFOTYRMVRNCALF-UHFFFAOYSA-N
XLogP3.22
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium
CID 4976806
2-propyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 99987933
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
ethyl 2-(10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-12-yl)acetate
CID 11462091
4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 603361
2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 3650028
ethane;11-methyl-[1]benzofuro[3,2-b]quinoline
CID 143798134
N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 6603427
4-chloro-2-(fluoromethyl)-[1]benzofuro[3,2-d]pyrimidine
CID 166124722
N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546532
2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine
CID 4919819

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine (CID 171560459) is 2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine is CCOCc1nc(C)c2oc3ccccc3c2n1.
What is the InChIKey of 2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is HFOTYRMVRNCALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-17-8-12-15-9(2)14-13(16-12)10-6-4-5-7-11(10)18-14/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine?
2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 242.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 171560459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).