5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine

C17H11N3OS — CID 141091633

IUPAC5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine
SMILESc1ccc(-c2ncc(-c3ccco3)c(-c3cccs3)n2)nc1
InChIInChI=1S/C17H11N3OS/c1-2-8-18-13(5-1)17-19-11-12(14-6-3-9-21-14)16(20-17)15-7-4-10-22-15/h1-11H
InChIKeyAIPKFNCUIYDCNC-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.53
Rot. Bonds3

About 5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine

5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine (PubChem CID 141091633) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine
PubChem CID141091633
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine
SMILESc1ccc(-c2ncc(-c3ccco3)c(-c3cccs3)n2)nc1
InChIInChI=1S/C17H11N3OS/c1-2-8-18-13(5-1)17-19-11-12(14-6-3-9-21-14)16(20-17)15-7-4-10-22-15/h1-11H
InChIKeyAIPKFNCUIYDCNC-UHFFFAOYSA-N
XLogP4.53
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-furanyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
CID 3234850
6-(3-furanyl)-N-methyl-N-[(3-methyl-2-thiophenyl)methyl]-4-quinazolinamine
CID 44968224
5-(Furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 2999163
4-(1-Benzothiophen-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
CID 10809550
6-(3-furanyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine
CID 44142069
6-(furan-2-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 44223933
4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-6-thiophen-2-yl-pyrimidine
CID 44289462
5-(furan-2-yl)-N-methyl-3-(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 135423770
N-methyl-6-(2-methylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine
CID 44968220
(2S)-1-N-[2-(3-fluoro-4-pyridinyl)-7-(furan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596442
(2S)-1-N-[7-[4-(aminomethyl)furan-2-yl]-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596664
(2S)-1-N-[7-(5-methylfuran-2-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 117672733

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine?
The IUPAC name of 5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine (CID 141091633) is 5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine.
What is the SMILES notation for 5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine?
The canonical SMILES for 5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine is c1ccc(-c2ncc(-c3ccco3)c(-c3cccs3)n2)nc1.
What is the InChIKey of 5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine?
The InChIKey is AIPKFNCUIYDCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c1-2-8-18-13(5-1)17-19-11-12(14-6-3-9-21-14)16(20-17)15-7-4-10-22-15/h1-11H.
What are the key properties of 5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine?
5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine has a molecular weight of 305.36 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine is sourced from PubChem (CID 141091633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).