furan-3-yl(pyrimidin-2-yl)methanone

C9H6N2O2 — CID 63947527

IUPACfuran-3-yl(pyrimidin-2-yl)methanone
SMILESO=C(c1ccoc1)c1ncccn1
InChIInChI=1S/C9H6N2O2/c12-8(7-2-5-13-6-7)9-10-3-1-4-11-9/h1-6H
InChIKeyHTPMMICKWZHYMF-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.30
Rot. Bonds2

About furan-3-yl(pyrimidin-2-yl)methanone

furan-3-yl(pyrimidin-2-yl)methanone (PubChem CID 63947527) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is furan-3-yl(pyrimidin-2-yl)methanone.

Molecular Properties

Compound Namefuran-3-yl(pyrimidin-2-yl)methanone
PubChem CID63947527
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Namefuran-3-yl(pyrimidin-2-yl)methanone
SMILESO=C(c1ccoc1)c1ncccn1
InChIInChI=1S/C9H6N2O2/c12-8(7-2-5-13-6-7)9-10-3-1-4-11-9/h1-6H
InChIKeyHTPMMICKWZHYMF-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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CID 21621706
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CID 62747546
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Frequently Asked Questions

What is the IUPAC name of furan-3-yl(pyrimidin-2-yl)methanone?
The IUPAC name of furan-3-yl(pyrimidin-2-yl)methanone (CID 63947527) is furan-3-yl(pyrimidin-2-yl)methanone.
What is the SMILES notation for furan-3-yl(pyrimidin-2-yl)methanone?
The canonical SMILES for furan-3-yl(pyrimidin-2-yl)methanone is O=C(c1ccoc1)c1ncccn1.
What is the InChIKey of furan-3-yl(pyrimidin-2-yl)methanone?
The InChIKey is HTPMMICKWZHYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-8(7-2-5-13-6-7)9-10-3-1-4-11-9/h1-6H.
What are the key properties of furan-3-yl(pyrimidin-2-yl)methanone?
furan-3-yl(pyrimidin-2-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-2-yl)methanone is sourced from PubChem (CID 63947527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).