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

C17H12N2O3 — CID 2397963

IUPAC4-(2-methoxyphenoxy)-[1]benzofuro[3,2-d]pyrimidine
SMILESCOc1ccccc1Oc1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H12N2O3/c1-20-13-8-4-5-9-14(13)22-17-16-15(18-10-19-17)11-6-2-3-7-12(11)21-16/h2-10H,1H3
InChIKeyLMTDNLCVCTWBPC-UHFFFAOYSA-N
MW292.29 g/mol
LogP4.18
Rot. Bonds3

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

4-(2-methoxyphenoxy)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 2397963) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID2397963
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name4-(2-methoxyphenoxy)-[1]benzofuro[3,2-d]pyrimidine
SMILESCOc1ccccc1Oc1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H12N2O3/c1-20-13-8-4-5-9-14(13)22-17-16-15(18-10-19-17)11-6-2-3-7-12(11)21-16/h2-10H,1H3
InChIKeyLMTDNLCVCTWBPC-UHFFFAOYSA-N
XLogP4.18
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(2-methoxyphenoxy)-[1]benzofuro[3,2-d]pyrimidine (CID 2397963) is 4-(2-methoxyphenoxy)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(2-methoxyphenoxy)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(2-methoxyphenoxy)-[1]benzofuro[3,2-d]pyrimidine is COc1ccccc1Oc1ncnc2c1oc1ccccc12.
What is the InChIKey of 4-(2-methoxyphenoxy)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is LMTDNLCVCTWBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-20-13-8-4-5-9-14(13)22-17-16-15(18-10-19-17)11-6-2-3-7-12(11)21-16/h2-10H,1H3.
What are the key properties of 4-(2-methoxyphenoxy)-[1]benzofuro[3,2-d]pyrimidine?
4-(2-methoxyphenoxy)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 292.29 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 2397963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).