6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine

C30H23N3OS — CID 141008291

IUPAC6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine
SMILESc1ccc(CC2=C(c3cccs3)C(c3ccco3)=NC(c3ccccn3)N2c2ccccc2)cc1
InChIInChI=1S/C30H23N3OS/c1-3-11-22(12-4-1)21-25-28(27-17-10-20-35-27)29(26-16-9-19-34-26)32-30(24-15-7-8-18-31-24)33(25)23-13-5-2-6-14-23/h1-20,30H,21H2
InChIKeyPNQQHIRLTBCARU-UHFFFAOYSA-N
MW473.60 g/mol
LogP7.40
Rot. Bonds6

About 6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine

6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine (PubChem CID 141008291) has the molecular formula C30H23N3OS and a molecular weight of 473.60 g/mol. Its IUPAC name is 6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine.

Molecular Properties

Compound Name6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine
PubChem CID141008291
Molecular FormulaC30H23N3OS
Molecular Weight473.60 g/mol
Exact Mass473.16
IUPAC Name6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine
SMILESc1ccc(CC2=C(c3cccs3)C(c3ccco3)=NC(c3ccccn3)N2c2ccccc2)cc1
InChIInChI=1S/C30H23N3OS/c1-3-11-22(12-4-1)21-25-28(27-17-10-20-35-27)29(26-16-9-19-34-26)32-30(24-15-7-8-18-31-24)33(25)23-13-5-2-6-14-23/h1-20,30H,21H2
InChIKeyPNQQHIRLTBCARU-UHFFFAOYSA-N
XLogP7.40
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216731
5-(furan-2-yl)-N-methyl-3-(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 135423770
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
4-[2-(4-Fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine
CID 118903766
4-Furan-2-yl-2-thiophen-2-yl-pyridine
CID 44276312
4-[2-(4-Fluorophenyl)-5-(furan-2-ylmethyl)thiophen-3-yl]pyridine
CID 118903778
2-(furan-3-yl)-6-methyl-1-[3-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propyl]-2H-thieno[2,3-d]pyrimidine
CID 176075940

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine?
The IUPAC name of 6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine (CID 141008291) is 6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine.
What is the SMILES notation for 6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine?
The canonical SMILES for 6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine is c1ccc(CC2=C(c3cccs3)C(c3ccco3)=NC(c3ccccn3)N2c2ccccc2)cc1.
What is the InChIKey of 6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine?
The InChIKey is PNQQHIRLTBCARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3OS/c1-3-11-22(12-4-1)21-25-28(27-17-10-20-35-27)29(26-16-9-19-34-26)32-30(24-15-7-8-18-31-24)33(25)23-13-5-2-6-14-23/h1-20,30H,21H2.
What are the key properties of 6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine?
6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine has a molecular weight of 473.60 g/mol, XLogP of 7.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine is sourced from PubChem (CID 141008291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).