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

C21H14N4OS — CID 141059921

IUPAC4-(furan-2-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc[nH]3)c(-c3cccs3)c(-c3ccco3)n2)nc1
InChIInChI=1S/C21H14N4OS/c1-2-10-23-15(6-1)21-24-19(14-7-3-11-22-14)18(17-9-5-13-27-17)20(25-21)16-8-4-12-26-16/h1-13,22H
InChIKeyFCJJQOIBYZFNSP-UHFFFAOYSA-N
MW370.44 g/mol
LogP5.52
Rot. Bonds4

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

4-(furan-2-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine (PubChem CID 141059921) has the molecular formula C21H14N4OS and a molecular weight of 370.44 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4-(furan-2-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine
PubChem CID141059921
Molecular FormulaC21H14N4OS
Molecular Weight370.44 g/mol
Exact Mass370.09
IUPAC Name4-(furan-2-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc[nH]3)c(-c3cccs3)c(-c3ccco3)n2)nc1
InChIInChI=1S/C21H14N4OS/c1-2-10-23-15(6-1)21-24-19(14-7-3-11-22-14)18(17-9-5-13-27-17)20(25-21)16-8-4-12-26-16/h1-13,22H
InChIKeyFCJJQOIBYZFNSP-UHFFFAOYSA-N
XLogP5.52
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.44
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Las-38096
CID 11716665
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436763
4-(1-Benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
CID 10785771
4'-(2-furyl)-N-pyrazin-2-yl-4,5'-bipyrimidin-2'-amine
CID 11565927
4'-(2-furyl)-N-(6-methoxypyridin-3-yl)-4,5'-bipyrimidin-2'-amine
CID 11638790
4''-(2-furyl)-N-pyrimidin-5-yl-4,5''-bipyrimidin-2''-amine
CID 11659696
5-(2-furyl)-6-pyrimidin-4-yl-3H-imidazo[4,5-b]pyridine
CID 11952504
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 11952665
Furan-2-ylmethyl-[(1-phenethyl-1H-tetrazol-5-yl)-pyridin-2-yl-methyl]-thiophen-2-ylmethyl-amine
CID 650607
N-(furan-2-ylmethyl)-3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 3435520
4-(Furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine
CID 10449071

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine?
The IUPAC name of 4-(furan-2-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine (CID 141059921) is 4-(furan-2-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4-(furan-2-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine?
The canonical SMILES for 4-(furan-2-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine is c1ccc(-c2nc(-c3ccc[nH]3)c(-c3cccs3)c(-c3ccco3)n2)nc1.
What is the InChIKey of 4-(furan-2-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine?
The InChIKey is FCJJQOIBYZFNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4OS/c1-2-10-23-15(6-1)21-24-19(14-7-3-11-22-14)18(17-9-5-13-27-17)20(25-21)16-8-4-12-26-16/h1-13,22H.
What are the key properties of 4-(furan-2-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine?
4-(furan-2-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine has a molecular weight of 370.44 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine is sourced from PubChem (CID 141059921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).