2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine

C18H14N2O — CID 142487813

IUPAC2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESCCc1nc(-c2ccccc2)c2c(n1)oc1ccccc12
InChIInChI=1S/C18H14N2O/c1-2-15-19-17(12-8-4-3-5-9-12)16-13-10-6-7-11-14(13)21-18(16)20-15/h3-11H,2H2,1H3
InChIKeyMLOVXTIAMUKTST-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.61
Rot. Bonds2

About 2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine

2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 142487813) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID142487813
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESCCc1nc(-c2ccccc2)c2c(n1)oc1ccccc12
InChIInChI=1S/C18H14N2O/c1-2-15-19-17(12-8-4-3-5-9-12)16-13-10-6-7-11-14(13)21-18(16)20-15/h3-11H,2H2,1H3
InChIKeyMLOVXTIAMUKTST-UHFFFAOYSA-N
XLogP4.61
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 118543898
2-[3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628772
4-(4-phenylphenyl)-2-[3-[3-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489754
2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 166969620
CID 164839359
CID 164839359
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628766
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[4-[2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 161158830
2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489587
2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 146648513
2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628767
4-phenyl-2-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122628828
2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489906

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine (CID 142487813) is 2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine is CCc1nc(-c2ccccc2)c2c(n1)oc1ccccc12.
What is the InChIKey of 2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is MLOVXTIAMUKTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-2-15-19-17(12-8-4-3-5-9-12)16-13-10-6-7-11-14(13)21-18(16)20-15/h3-11H,2H2,1H3.
What are the key properties of 2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 274.32 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 142487813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).