furan-3-yl(pyrimidin-4-yl)methanone

C9H6N2O2 — CID 63987887

IUPACfuran-3-yl(pyrimidin-4-yl)methanone
SMILESO=C(c1ccoc1)c1ccncn1
InChIInChI=1S/C9H6N2O2/c12-9(7-2-4-13-5-7)8-1-3-10-6-11-8/h1-6H
InChIKeyXGJVVIWTTGVMKK-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.30
Rot. Bonds2

About furan-3-yl(pyrimidin-4-yl)methanone

furan-3-yl(pyrimidin-4-yl)methanone (PubChem CID 63987887) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is furan-3-yl(pyrimidin-4-yl)methanone.

Molecular Properties

Compound Namefuran-3-yl(pyrimidin-4-yl)methanone
PubChem CID63987887
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Namefuran-3-yl(pyrimidin-4-yl)methanone
SMILESO=C(c1ccoc1)c1ccncn1
InChIInChI=1S/C9H6N2O2/c12-9(7-2-4-13-5-7)8-1-3-10-6-11-8/h1-6H
InChIKeyXGJVVIWTTGVMKK-UHFFFAOYSA-N
XLogP1.30
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46880331
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CID 2824246
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CID 14347008
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CID 14347033
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CID 127052159
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CID 127053044
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CID 14346992
CID 14346992

Frequently Asked Questions

What is the IUPAC name of furan-3-yl(pyrimidin-4-yl)methanone?
The IUPAC name of furan-3-yl(pyrimidin-4-yl)methanone (CID 63987887) is furan-3-yl(pyrimidin-4-yl)methanone.
What is the SMILES notation for furan-3-yl(pyrimidin-4-yl)methanone?
The canonical SMILES for furan-3-yl(pyrimidin-4-yl)methanone is O=C(c1ccoc1)c1ccncn1.
What is the InChIKey of furan-3-yl(pyrimidin-4-yl)methanone?
The InChIKey is XGJVVIWTTGVMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-9(7-2-4-13-5-7)8-1-3-10-6-11-8/h1-6H.
What are the key properties of furan-3-yl(pyrimidin-4-yl)methanone?
furan-3-yl(pyrimidin-4-yl)methanone has a molecular weight of 174.16 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl(pyrimidin-4-yl)methanone is sourced from PubChem (CID 63987887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).