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

C13H9N3O — CID 1485448

IUPAC4-(furan-2-yl)-2-pyridin-4-ylpyrimidine
SMILESc1coc(-c2ccnc(-c3ccncc3)n2)c1
InChIInChI=1S/C13H9N3O/c1-2-12(17-9-1)11-5-8-15-13(16-11)10-3-6-14-7-4-10/h1-9H
InChIKeyHFFWPHNCOQVRCH-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.80
Rot. Bonds2

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

4-(furan-2-yl)-2-pyridin-4-ylpyrimidine (PubChem CID 1485448) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(furan-2-yl)-2-pyridin-4-ylpyrimidine
PubChem CID1485448
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name4-(furan-2-yl)-2-pyridin-4-ylpyrimidine
SMILESc1coc(-c2ccnc(-c3ccncc3)n2)c1
InChIInChI=1S/C13H9N3O/c1-2-12(17-9-1)11-5-8-15-13(16-11)10-3-6-14-7-4-10/h1-9H
InChIKeyHFFWPHNCOQVRCH-UHFFFAOYSA-N
XLogP2.80
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-(furan-2-yl)-2-pyridin-4-ylpyrimidine (CID 1485448) is 4-(furan-2-yl)-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-(furan-2-yl)-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-(furan-2-yl)-2-pyridin-4-ylpyrimidine is c1coc(-c2ccnc(-c3ccncc3)n2)c1.
What is the InChIKey of 4-(furan-2-yl)-2-pyridin-4-ylpyrimidine?
The InChIKey is HFFWPHNCOQVRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c1-2-12(17-9-1)11-5-8-15-13(16-11)10-3-6-14-7-4-10/h1-9H.
What are the key properties of 4-(furan-2-yl)-2-pyridin-4-ylpyrimidine?
4-(furan-2-yl)-2-pyridin-4-ylpyrimidine has a molecular weight of 223.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 1485448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).