2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one

C13H9N3O2 — CID 174524048

IUPAC2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2ccc(-c3ccco3)nc2)[nH]1
InChIInChI=1S/C13H9N3O2/c17-12-5-6-14-13(16-12)9-3-4-10(15-8-9)11-2-1-7-18-11/h1-8H,(H,14,16,17)
InChIKeyZLEVTHWLDKXPRJ-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.09
Rot. Bonds2

About 2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one

2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 174524048) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID174524048
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2ccc(-c3ccco3)nc2)[nH]1
InChIInChI=1S/C13H9N3O2/c17-12-5-6-14-13(16-12)9-3-4-10(15-8-9)11-2-1-7-18-11/h1-8H,(H,14,16,17)
InChIKeyZLEVTHWLDKXPRJ-UHFFFAOYSA-N
XLogP2.09
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylphenyl)-1H-pyrimidin-6-one
CID 43654623
4-(furan-2-yl)-2-phenyl-1H-pyrimidin-6-one
CID 136692919
3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one
CID 168527958
5-tert-butyl-2-(furan-2-yl)pyridine
CID 165372306
5-(furan-2-yl)-1H-pyrimidin-2-one
CID 53222218
2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one
CID 82469493
2-(4-ethoxyphenyl)-1H-pyrimidin-6-one
CID 43654617
2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 95732712
5-amino-3-(furan-2-yl)-1H-pyridazin-6-one
CID 51589117
2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 82281081
2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one
CID 136692914
3-(furan-2-yl)-1,2,4-triazine
CID 11367075

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one (CID 174524048) is 2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one is O=c1ccnc(-c2ccc(-c3ccco3)nc2)[nH]1.
What is the InChIKey of 2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is ZLEVTHWLDKXPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-12-5-6-14-13(16-12)9-3-4-10(15-8-9)11-2-1-7-18-11/h1-8H,(H,14,16,17).
What are the key properties of 2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one?
2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 239.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 174524048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).