2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine

C20H16N2O — CID 141181489

IUPAC2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine
SMILESCCc1ccc(-c2ncc3cc(-c4ccccc4)oc3n2)cc1
InChIInChI=1S/C20H16N2O/c1-2-14-8-10-16(11-9-14)19-21-13-17-12-18(23-20(17)22-19)15-6-4-3-5-7-15/h3-13H,2H2,1H3
InChIKeyXTAJUGBQCDKEQC-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.12
Rot. Bonds3

About 2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine

2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine (PubChem CID 141181489) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine
PubChem CID141181489
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine
SMILESCCc1ccc(-c2ncc3cc(-c4ccccc4)oc3n2)cc1
InChIInChI=1S/C20H16N2O/c1-2-14-8-10-16(11-9-14)19-21-13-17-12-18(23-20(17)22-19)15-6-4-3-5-7-15/h3-13H,2H2,1H3
InChIKeyXTAJUGBQCDKEQC-UHFFFAOYSA-N
XLogP5.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)quinazoline-6-carbonitrile
CID 10945150
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
4-ethyl-5-methyl-2-phenylpyrimidine
CID 150383613
2-(4-ethylphenyl)-7-methylpurine
CID 163305532
2-(4-pentylphenyl)-5-phenylpyrimidine
CID 71339223
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740532
6-ethyl-2-phenylchromen-4-one
CID 10999458
N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine
CID 66302305

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine?
The IUPAC name of 2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine (CID 141181489) is 2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine?
The canonical SMILES for 2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine is CCc1ccc(-c2ncc3cc(-c4ccccc4)oc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine?
The InChIKey is XTAJUGBQCDKEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-2-14-8-10-16(11-9-14)19-21-13-17-12-18(23-20(17)22-19)15-6-4-3-5-7-15/h3-13H,2H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine?
2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine has a molecular weight of 300.36 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidine is sourced from PubChem (CID 141181489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).