2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone

C11H10N2O3 — CID 102949979

IUPAC2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1cc(C(=O)Cc2ccco2)ncn1
InChIInChI=1S/C11H10N2O3/c1-15-11-6-9(12-7-13-11)10(14)5-8-3-2-4-16-8/h2-4,6-7H,5H2,1H3
InChIKeyXBPHVVFXSVNRMS-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.50
Rot. Bonds4

About 2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone

2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone (PubChem CID 102949979) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone
PubChem CID102949979
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1cc(C(=O)Cc2ccco2)ncn1
InChIInChI=1S/C11H10N2O3/c1-15-11-6-9(12-7-13-11)10(14)5-8-3-2-4-16-8/h2-4,6-7H,5H2,1H3
InChIKeyXBPHVVFXSVNRMS-UHFFFAOYSA-N
XLogP1.50
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171564
2-(3-bromo-4-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone
CID 102950057
2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 107977307
2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone
CID 102950129
1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one
CID 113397442
N-ethyl-6-methoxy-N-phenylpyrimidine-4-carboxamide
CID 121167323
1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone
CID 83172219
1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone
CID 114329742
2-(furan-2-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 115795536
2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110690707
6-methoxy-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 121167294
6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 121167293

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone?
The IUPAC name of 2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone (CID 102949979) is 2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone.
What is the SMILES notation for 2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone?
The canonical SMILES for 2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone is COc1cc(C(=O)Cc2ccco2)ncn1.
What is the InChIKey of 2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone?
The InChIKey is XBPHVVFXSVNRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-15-11-6-9(12-7-13-11)10(14)5-8-3-2-4-16-8/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone?
2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone has a molecular weight of 218.21 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone is sourced from PubChem (CID 102949979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).