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

C16H11N3OS — CID 140976552

IUPAC4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine
SMILESc1c[nH]c(-c2ncc(-c3cccs3)c(-c3ccco3)n2)c1
InChIInChI=1S/C16H11N3OS/c1-4-12(17-7-1)16-18-10-11(14-6-3-9-21-14)15(19-16)13-5-2-8-20-13/h1-10,17H
InChIKeyGLROVTPLLLTNKN-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.46
Rot. Bonds3

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

4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine (PubChem CID 140976552) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine
PubChem CID140976552
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine
SMILESc1c[nH]c(-c2ncc(-c3cccs3)c(-c3ccco3)n2)c1
InChIInChI=1S/C16H11N3OS/c1-4-12(17-7-1)16-18-10-11(14-6-3-9-21-14)15(19-16)13-5-2-8-20-13/h1-10,17H
InChIKeyGLROVTPLLLTNKN-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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Related Compounds

4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
4-(1-Benzothiophen-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
CID 10785771
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
N-ethyl-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 44449666
Furan-2-ylmethyl-[(1-phenethyl-1H-tetrazol-5-yl)-pyridin-2-yl-methyl]-thiophen-2-ylmethyl-amine
CID 650607
4-(furan-2-yl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 2990940
6-(2-Furyl)-3-(3-thienyl)imidazo [1,2-a]pyrazine
CID 117769709
5-(furan-2-yl)-N-methyl-3-(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 135423770
2-(4-Furan-2-ylpyrimidin-2-yl)-5-[(2-thiophen-2-ylphenyl)carbonyl]octahydro-pyrrolo[3,4-c]pyrrole
CID 67116580
6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3234711
N-[furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 16336530

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine?
The IUPAC name of 4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine (CID 140976552) is 4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine?
The canonical SMILES for 4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine is c1c[nH]c(-c2ncc(-c3cccs3)c(-c3ccco3)n2)c1.
What is the InChIKey of 4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine?
The InChIKey is GLROVTPLLLTNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c1-4-12(17-7-1)16-18-10-11(14-6-3-9-21-14)15(19-16)13-5-2-8-20-13/h1-10,17H.
What are the key properties of 4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine?
4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine 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 4-(furan-2-yl)-2-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine is sourced from PubChem (CID 140976552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).