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

C20H16N2O2 — CID 3775786

IUPAC4-(2,3-dimethylphenoxy)-6-phenylfuro[2,3-d]pyrimidine
SMILESCc1cccc(Oc2ncnc3oc(-c4ccccc4)cc23)c1C
InChIInChI=1S/C20H16N2O2/c1-13-7-6-10-17(14(13)2)23-19-16-11-18(15-8-4-3-5-9-15)24-20(16)22-12-21-19/h3-12H,1-2H3
InChIKeyYCJSWRJJVXCMCT-UHFFFAOYSA-N
MW316.36 g/mol
LogP5.30
Rot. Bonds3

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

4-(2,3-dimethylphenoxy)-6-phenylfuro[2,3-d]pyrimidine (PubChem CID 3775786) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-6-phenylfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)-6-phenylfuro[2,3-d]pyrimidine
PubChem CID3775786
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name4-(2,3-dimethylphenoxy)-6-phenylfuro[2,3-d]pyrimidine
SMILESCc1cccc(Oc2ncnc3oc(-c4ccccc4)cc23)c1C
InChIInChI=1S/C20H16N2O2/c1-13-7-6-10-17(14(13)2)23-19-16-11-18(15-8-4-3-5-9-15)24-20(16)22-12-21-19/h3-12H,1-2H3
InChIKeyYCJSWRJJVXCMCT-UHFFFAOYSA-N
XLogP5.30
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.36
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)-6-phenylfuro[2,3-d]pyrimidine?
The IUPAC name of 4-(2,3-dimethylphenoxy)-6-phenylfuro[2,3-d]pyrimidine (CID 3775786) is 4-(2,3-dimethylphenoxy)-6-phenylfuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)-6-phenylfuro[2,3-d]pyrimidine?
The canonical SMILES for 4-(2,3-dimethylphenoxy)-6-phenylfuro[2,3-d]pyrimidine is Cc1cccc(Oc2ncnc3oc(-c4ccccc4)cc23)c1C.
What is the InChIKey of 4-(2,3-dimethylphenoxy)-6-phenylfuro[2,3-d]pyrimidine?
The InChIKey is YCJSWRJJVXCMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-13-7-6-10-17(14(13)2)23-19-16-11-18(15-8-4-3-5-9-15)24-20(16)22-12-21-19/h3-12H,1-2H3.
What are the key properties of 4-(2,3-dimethylphenoxy)-6-phenylfuro[2,3-d]pyrimidine?
4-(2,3-dimethylphenoxy)-6-phenylfuro[2,3-d]pyrimidine has a molecular weight of 316.36 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)-6-phenylfuro[2,3-d]pyrimidine is sourced from PubChem (CID 3775786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).