5-(furan-3-yl)pyrimidine

C8H6N2O — CID 45080069

IUPAC5-(furan-3-yl)pyrimidine
SMILESc1ncc(-c2ccoc2)cn1
InChIInChI=1S/C8H6N2O/c1-2-11-5-7(1)8-3-9-6-10-4-8/h1-6H
InChIKeyZSSGSLKYCKZXOD-UHFFFAOYSA-N
MW146.15 g/mol
LogP1.74
Rot. Bonds1

About 5-(furan-3-yl)pyrimidine

5-(furan-3-yl)pyrimidine (PubChem CID 45080069) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 5-(furan-3-yl)pyrimidine.

Molecular Properties

Compound Name5-(furan-3-yl)pyrimidine
PubChem CID45080069
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name5-(furan-3-yl)pyrimidine
SMILESc1ncc(-c2ccoc2)cn1
InChIInChI=1S/C8H6N2O/c1-2-11-5-7(1)8-3-9-6-10-4-8/h1-6H
InChIKeyZSSGSLKYCKZXOD-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 5-(furan-3-yl)pyrimidine?
The IUPAC name of 5-(furan-3-yl)pyrimidine (CID 45080069) is 5-(furan-3-yl)pyrimidine.
What is the SMILES notation for 5-(furan-3-yl)pyrimidine?
The canonical SMILES for 5-(furan-3-yl)pyrimidine is c1ncc(-c2ccoc2)cn1.
What is the InChIKey of 5-(furan-3-yl)pyrimidine?
The InChIKey is ZSSGSLKYCKZXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c1-2-11-5-7(1)8-3-9-6-10-4-8/h1-6H.
What are the key properties of 5-(furan-3-yl)pyrimidine?
5-(furan-3-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 5-(furan-3-yl)pyrimidine is sourced from PubChem (CID 45080069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).