2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine

C16H11N3OS — CID 91802818

IUPAC2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine
SMILESc1cnc(-c2scc(-c3ccc[nH]3)c2-c2ccco2)nc1
InChIInChI=1S/C16H11N3OS/c1-4-12(17-6-1)11-10-21-15(16-18-7-3-8-19-16)14(11)13-5-2-9-20-13/h1-10,17H
InChIKeyZCTQNRYAVSGGCJ-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.46
Rot. Bonds3

About 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine

2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine (PubChem CID 91802818) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine
PubChem CID91802818
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine
SMILESc1cnc(-c2scc(-c3ccc[nH]3)c2-c2ccco2)nc1
InChIInChI=1S/C16H11N3OS/c1-4-12(17-6-1)11-10-21-15(16-18-7-3-8-19-16)14(11)13-5-2-9-20-13/h1-10,17H
InChIKeyZCTQNRYAVSGGCJ-UHFFFAOYSA-N
XLogP4.46
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine?
The IUPAC name of 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine (CID 91802818) is 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine.
What is the SMILES notation for 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine?
The canonical SMILES for 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine is c1cnc(-c2scc(-c3ccc[nH]3)c2-c2ccco2)nc1.
What is the InChIKey of 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine?
The InChIKey is ZCTQNRYAVSGGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c1-4-12(17-6-1)11-10-21-15(16-18-7-3-8-19-16)14(11)13-5-2-9-20-13/h1-10,17H.
What are the key properties of 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine?
2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine has a molecular weight of 293.35 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine is sourced from PubChem (CID 91802818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).