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

C27H20N4OS — CID 141053177

IUPAC5-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-6-thiophen-2-yl-2H-pyrimidine
SMILESc1ccc(N2C(c3cccs3)=C(c3ccco3)C(c3ccc[nH]3)=NC2c2ccccn2)cc1
InChIInChI=1S/C27H20N4OS/c1-2-9-19(10-3-1)31-26(23-14-8-18-33-23)24(22-13-7-17-32-22)25(20-12-6-16-28-20)30-27(31)21-11-4-5-15-29-21/h1-18,27-28H
InChIKeyMYXVLXBZTFWYTP-UHFFFAOYSA-N
MW448.55 g/mol
LogP6.64
Rot. Bonds5

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

5-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-6-thiophen-2-yl-2H-pyrimidine (PubChem CID 141053177) has the molecular formula C27H20N4OS and a molecular weight of 448.55 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-6-thiophen-2-yl-2H-pyrimidine.

Molecular Properties

Compound Name5-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-6-thiophen-2-yl-2H-pyrimidine
PubChem CID141053177
Molecular FormulaC27H20N4OS
Molecular Weight448.55 g/mol
Exact Mass448.14
IUPAC Name5-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-6-thiophen-2-yl-2H-pyrimidine
SMILESc1ccc(N2C(c3cccs3)=C(c3ccco3)C(c3ccc[nH]3)=NC2c2ccccn2)cc1
InChIInChI=1S/C27H20N4OS/c1-2-9-19(10-3-1)31-26(23-14-8-18-33-23)24(22-13-7-17-32-22)25(20-12-6-16-28-20)30-27(31)21-11-4-5-15-29-21/h1-18,27-28H
InChIKeyMYXVLXBZTFWYTP-UHFFFAOYSA-N
XLogP6.64
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.55
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
Furyl(thienyl)pyrrole
CID 129782024
[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 22727373
[3-(furan-2-yl)-1H-indol-5-yl]-(4-thiophen-3-ylpiperazin-1-yl)methanone
CID 22727389
1-benzofuran;1-benzothiophene;1H-indole
CID 67462302
2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine
CID 91802818
2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole
CID 129059158
2-[5-(furan-2-yl)thiophen-2-yl]-1H-pyrrole
CID 130254975
5-(furan-2-yl)-N-methyl-3-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 136352132
N-ethyl-5-(furan-2-yl)-3-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 136376221
5-(furan-2-yl)-N-methyl-3-(3-methylthiophen-2-yl)-2,3-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 136376226

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-6-thiophen-2-yl-2H-pyrimidine?
The IUPAC name of 5-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-6-thiophen-2-yl-2H-pyrimidine (CID 141053177) is 5-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-6-thiophen-2-yl-2H-pyrimidine.
What is the SMILES notation for 5-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-6-thiophen-2-yl-2H-pyrimidine?
The canonical SMILES for 5-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-6-thiophen-2-yl-2H-pyrimidine is c1ccc(N2C(c3cccs3)=C(c3ccco3)C(c3ccc[nH]3)=NC2c2ccccn2)cc1.
What is the InChIKey of 5-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-6-thiophen-2-yl-2H-pyrimidine?
The InChIKey is MYXVLXBZTFWYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4OS/c1-2-9-19(10-3-1)31-26(23-14-8-18-33-23)24(22-13-7-17-32-22)25(20-12-6-16-28-20)30-27(31)21-11-4-5-15-29-21/h1-18,27-28H.
What are the key properties of 5-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-6-thiophen-2-yl-2H-pyrimidine?
5-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-6-thiophen-2-yl-2H-pyrimidine has a molecular weight of 448.55 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-6-thiophen-2-yl-2H-pyrimidine is sourced from PubChem (CID 141053177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).