1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one

C11H10N2O2 — CID 174970630

IUPAC1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one
SMILESCC(=O)Cc1cc(-c2ccco2)ncn1
InChIInChI=1S/C11H10N2O2/c1-8(14)5-9-6-10(13-7-12-9)11-3-2-4-15-11/h2-4,6-7H,5H2,1H3
InChIKeyXSRFTUIUBFDKPL-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.87
Rot. Bonds3

About 1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one

1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one (PubChem CID 174970630) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one
PubChem CID174970630
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one
SMILESCC(=O)Cc1cc(-c2ccco2)ncn1
InChIInChI=1S/C11H10N2O2/c1-8(14)5-9-6-10(13-7-12-9)11-3-2-4-15-11/h2-4,6-7H,5H2,1H3
InChIKeyXSRFTUIUBFDKPL-UHFFFAOYSA-N
XLogP1.87
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-aminopyrimidin-4-yl)propan-2-one
CID 83857213
1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one
CID 123906460
1-[8-(furan-2-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]propan-2-one
CID 158037560
1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one
CID 147791657
1-(4-tert-butyl-2-pyridinyl)propan-2-one
CID 91432972
4-(furan-2-yl)pyrimidine-2-carboxylic acid
CID 82404248
ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate
CID 50924647
N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090680
(E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide
CID 122262415
N-[3-(furan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 58182046
6-(furan-2-yl)-2-methylpyrimidine-4-carboxylic acid
CID 121206884
1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone
CID 115083525

Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one?
The IUPAC name of 1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one (CID 174970630) is 1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one.
What is the SMILES notation for 1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one?
The canonical SMILES for 1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one is CC(=O)Cc1cc(-c2ccco2)ncn1.
What is the InChIKey of 1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one?
The InChIKey is XSRFTUIUBFDKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8(14)5-9-6-10(13-7-12-9)11-3-2-4-15-11/h2-4,6-7H,5H2,1H3.
What are the key properties of 1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one?
1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one has a molecular weight of 202.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one is sourced from PubChem (CID 174970630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).