5-(furan-2-yl)-1H-pyrimidin-2-one

C8H6N2O2 — CID 53222218

IUPAC5-(furan-2-yl)-1H-pyrimidin-2-one
SMILESO=c1ncc(-c2ccco2)c[nH]1
InChIInChI=1S/C8H6N2O2/c11-8-9-4-6(5-10-8)7-2-1-3-12-7/h1-5H,(H,9,10,11)
InChIKeyBITXOXRVTVTBNZ-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.03
Rot. Bonds1

About 5-(furan-2-yl)-1H-pyrimidin-2-one

5-(furan-2-yl)-1H-pyrimidin-2-one (PubChem CID 53222218) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 5-(furan-2-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-1H-pyrimidin-2-one
PubChem CID53222218
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name5-(furan-2-yl)-1H-pyrimidin-2-one
SMILESO=c1ncc(-c2ccco2)c[nH]1
InChIInChI=1S/C8H6N2O2/c11-8-9-4-6(5-10-8)7-2-1-3-12-7/h1-5H,(H,9,10,11)
InChIKeyBITXOXRVTVTBNZ-UHFFFAOYSA-N
XLogP1.03
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(furan-2-yl)-2-methoxypyridine
CID 58016660
2-(furan-2-yl)-5-(5-phenyl-1H-imidazol-4-yl)pyrimidine
CID 50963722
5-(furan-2-yl)-N,N-dimethylpyridin-2-amine
CID 91664813
2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one
CID 174524048
3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one
CID 168527958
4-(furan-2-yl)pyridine-2,6-dicarboxylic acid
CID 138673812
3-(furan-2-yl)-5-methoxypyridine
CID 174589333
ethane;2-phenylfuran
CID 143157762
6-(furan-2-yl)-2-phenyl-1H-imidazo[4,5-b]pyridine
CID 23025770
5-amino-4-(furan-2-yl)-1H-pyridazin-6-one
CID 117127370
3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one
CID 57107919
ethane;2-(furan-2-yl)furan
CID 161366084

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1H-pyrimidin-2-one?
The IUPAC name of 5-(furan-2-yl)-1H-pyrimidin-2-one (CID 53222218) is 5-(furan-2-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(furan-2-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(furan-2-yl)-1H-pyrimidin-2-one is O=c1ncc(-c2ccco2)c[nH]1.
What is the InChIKey of 5-(furan-2-yl)-1H-pyrimidin-2-one?
The InChIKey is BITXOXRVTVTBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-8-9-4-6(5-10-8)7-2-1-3-12-7/h1-5H,(H,9,10,11).
What are the key properties of 5-(furan-2-yl)-1H-pyrimidin-2-one?
5-(furan-2-yl)-1H-pyrimidin-2-one has a molecular weight of 162.15 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 53222218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).