3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile

C27H19N3O2 — CID 102155313

IUPAC3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile
SMILESCOc1ccc(-c2c(-c3cccc(C#N)c3)oc3nc(-c4ccccc4)nc(C)c23)cc1
InChIInChI=1S/C27H19N3O2/c1-17-23-24(19-11-13-22(31-2)14-12-19)25(21-10-6-7-18(15-21)16-28)32-27(23)30-26(29-17)20-8-4-3-5-9-20/h3-15H,1-2H3
InChIKeyNSRAIYXEGYPKMA-UHFFFAOYSA-N
MW417.47 g/mol
LogP6.41
Rot. Bonds4

About 3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile

3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile (PubChem CID 102155313) has the molecular formula C27H19N3O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile
PubChem CID102155313
Molecular FormulaC27H19N3O2
Molecular Weight417.47 g/mol
Exact Mass417.15
IUPAC Name3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile
SMILESCOc1ccc(-c2c(-c3cccc(C#N)c3)oc3nc(-c4ccccc4)nc(C)c23)cc1
InChIInChI=1S/C27H19N3O2/c1-17-23-24(19-11-13-22(31-2)14-12-19)25(21-10-6-7-18(15-21)16-28)32-27(23)30-26(29-17)20-8-4-3-5-9-20/h3-15H,1-2H3
InChIKeyNSRAIYXEGYPKMA-UHFFFAOYSA-N
XLogP6.41
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile
CID 10391863
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzonitrile
CID 167877413
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]benzonitrile
CID 169297169
4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 118721631
3-(3-methoxyphenyl)benzonitrile
CID 4189594
2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 68520905
3-[1-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyethoxy]propanenitrile
CID 140544972
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 176848065
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317879
3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134317943

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile?
The IUPAC name of 3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile (CID 102155313) is 3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile is COc1ccc(-c2c(-c3cccc(C#N)c3)oc3nc(-c4ccccc4)nc(C)c23)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile?
The InChIKey is NSRAIYXEGYPKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O2/c1-17-23-24(19-11-13-22(31-2)14-12-19)25(21-10-6-7-18(15-21)16-28)32-27(23)30-26(29-17)20-8-4-3-5-9-20/h3-15H,1-2H3.
What are the key properties of 3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile?
3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile has a molecular weight of 417.47 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile is sourced from PubChem (CID 102155313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).