5-(furan-2-yl)-2-methoxypyrimidine

C9H8N2O2 — CID 20754770

IUPAC5-(furan-2-yl)-2-methoxypyrimidine
SMILESCOc1ncc(-c2ccco2)cn1
InChIInChI=1S/C9H8N2O2/c1-12-9-10-5-7(6-11-9)8-3-2-4-13-8/h2-6H,1H3
InChIKeyLZDXXQNHWULXGQ-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.75
Rot. Bonds2

About 5-(furan-2-yl)-2-methoxypyrimidine

5-(furan-2-yl)-2-methoxypyrimidine (PubChem CID 20754770) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-methoxypyrimidine.

Molecular Properties

Compound Name5-(furan-2-yl)-2-methoxypyrimidine
PubChem CID20754770
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name5-(furan-2-yl)-2-methoxypyrimidine
SMILESCOc1ncc(-c2ccco2)cn1
InChIInChI=1S/C9H8N2O2/c1-12-9-10-5-7(6-11-9)8-3-2-4-13-8/h2-6H,1H3
InChIKeyLZDXXQNHWULXGQ-UHFFFAOYSA-N
XLogP1.75
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-methoxypyrimidine?
The IUPAC name of 5-(furan-2-yl)-2-methoxypyrimidine (CID 20754770) is 5-(furan-2-yl)-2-methoxypyrimidine.
What is the SMILES notation for 5-(furan-2-yl)-2-methoxypyrimidine?
The canonical SMILES for 5-(furan-2-yl)-2-methoxypyrimidine is COc1ncc(-c2ccco2)cn1.
What is the InChIKey of 5-(furan-2-yl)-2-methoxypyrimidine?
The InChIKey is LZDXXQNHWULXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-12-9-10-5-7(6-11-9)8-3-2-4-13-8/h2-6H,1H3.
What are the key properties of 5-(furan-2-yl)-2-methoxypyrimidine?
5-(furan-2-yl)-2-methoxypyrimidine has a molecular weight of 176.17 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-methoxypyrimidine is sourced from PubChem (CID 20754770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).