2-(furan-2-yl)pyrimidine

C8H6N2O — CID 11171051

IUPAC2-(furan-2-yl)pyrimidine
SMILESc1cnc(-c2ccco2)nc1
InChIInChI=1S/C8H6N2O/c1-3-7(11-6-1)8-9-4-2-5-10-8/h1-6H
InChIKeyLKQWUJWBYVAURT-UHFFFAOYSA-N
MW146.15 g/mol
LogP1.74
Rot. Bonds1

About 2-(furan-2-yl)pyrimidine

2-(furan-2-yl)pyrimidine (PubChem CID 11171051) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-(furan-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)pyrimidine
PubChem CID11171051
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name2-(furan-2-yl)pyrimidine
SMILESc1cnc(-c2ccco2)nc1
InChIInChI=1S/C8H6N2O/c1-3-7(11-6-1)8-9-4-2-5-10-8/h1-6H
InChIKeyLKQWUJWBYVAURT-UHFFFAOYSA-N
XLogP1.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)pyrimidine?
The IUPAC name of 2-(furan-2-yl)pyrimidine (CID 11171051) is 2-(furan-2-yl)pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)pyrimidine?
The canonical SMILES for 2-(furan-2-yl)pyrimidine is c1cnc(-c2ccco2)nc1.
What is the InChIKey of 2-(furan-2-yl)pyrimidine?
The InChIKey is LKQWUJWBYVAURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c1-3-7(11-6-1)8-9-4-2-5-10-8/h1-6H.
What are the key properties of 2-(furan-2-yl)pyrimidine?
2-(furan-2-yl)pyrimidine has a molecular weight of 146.15 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)pyrimidine is sourced from PubChem (CID 11171051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).