4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine

C15H19N3O2 — CID 136530979

IUPAC4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine
SMILESCOc1nc(C)cc(N2CCCCC2c2ccco2)n1
InChIInChI=1S/C15H19N3O2/c1-11-10-14(17-15(16-11)19-2)18-8-4-3-6-12(18)13-7-5-9-20-13/h5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyVOSCTKVCZVMBAN-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.12
Rot. Bonds3

About 4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine

4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine (PubChem CID 136530979) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine.

Molecular Properties

Compound Name4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine
PubChem CID136530979
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine
SMILESCOc1nc(C)cc(N2CCCCC2c2ccco2)n1
InChIInChI=1S/C15H19N3O2/c1-11-10-14(17-15(16-11)19-2)18-8-4-3-6-12(18)13-7-5-9-20-13/h5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyVOSCTKVCZVMBAN-UHFFFAOYSA-N
XLogP3.12
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine?
The IUPAC name of 4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine (CID 136530979) is 4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine.
What is the SMILES notation for 4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine?
The canonical SMILES for 4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine is COc1nc(C)cc(N2CCCCC2c2ccco2)n1.
What is the InChIKey of 4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine?
The InChIKey is VOSCTKVCZVMBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-10-14(17-15(16-11)19-2)18-8-4-3-6-12(18)13-7-5-9-20-13/h5,7,9-10,12H,3-4,6,8H2,1-2H3.
What are the key properties of 4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine?
4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine has a molecular weight of 273.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine is sourced from PubChem (CID 136530979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).