2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine

C12H8N2OS — CID 141064168

IUPAC2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine
SMILESc1cnc(-c2ccsc2-c2ccco2)nc1
InChIInChI=1S/C12H8N2OS/c1-3-10(15-7-1)11-9(4-8-16-11)12-13-5-2-6-14-12/h1-8H
InChIKeyYKPNCMJFZUZPCV-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.47
Rot. Bonds2

About 2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine

2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine (PubChem CID 141064168) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine
PubChem CID141064168
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine
SMILESc1cnc(-c2ccsc2-c2ccco2)nc1
InChIInChI=1S/C12H8N2OS/c1-3-10(15-7-1)11-9(4-8-16-11)12-13-5-2-6-14-12/h1-8H
InChIKeyYKPNCMJFZUZPCV-UHFFFAOYSA-N
XLogP3.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine?
The IUPAC name of 2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine (CID 141064168) is 2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine.
What is the SMILES notation for 2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine?
The canonical SMILES for 2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine is c1cnc(-c2ccsc2-c2ccco2)nc1.
What is the InChIKey of 2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine?
The InChIKey is YKPNCMJFZUZPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c1-3-10(15-7-1)11-9(4-8-16-11)12-13-5-2-6-14-12/h1-8H.
What are the key properties of 2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine?
2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine has a molecular weight of 228.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)thiophen-3-yl]pyrimidine is sourced from PubChem (CID 141064168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).