1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one

C13H14N2O2 — CID 123906460

IUPAC1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one
SMILESCCc1cnc(CC(C)=O)nc1-c1ccco1
InChIInChI=1S/C13H14N2O2/c1-3-10-8-14-12(7-9(2)16)15-13(10)11-5-4-6-17-11/h4-6,8H,3,7H2,1-2H3
InChIKeyZWYXMDAWRIOCJN-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.43
Rot. Bonds4

About 1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one

1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one (PubChem CID 123906460) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one
PubChem CID123906460
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one
SMILESCCc1cnc(CC(C)=O)nc1-c1ccco1
InChIInChI=1S/C13H14N2O2/c1-3-10-8-14-12(7-9(2)16)15-13(10)11-5-4-6-17-11/h4-6,8H,3,7H2,1-2H3
InChIKeyZWYXMDAWRIOCJN-UHFFFAOYSA-N
XLogP2.43
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(furan-2-yl)pyrimidin-4-yl]propan-2-one
CID 174970630
1-[8-(furan-2-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]propan-2-one
CID 158037560
2-[3-ethyl-6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-yl]acetamide
CID 91526020
ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
CID 62633596
ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
CID 116532867
ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate
CID 6404336
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butylacetamide
CID 6404306
1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
CID 158503858
[2-(furan-2-yl)-3-pyridinyl]methanol
CID 91990185
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-methylacetamide
CID 6404295
2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid
CID 91000148
ethyl 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate
CID 6401510

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one?
The IUPAC name of 1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one (CID 123906460) is 1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one?
The canonical SMILES for 1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one is CCc1cnc(CC(C)=O)nc1-c1ccco1.
What is the InChIKey of 1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one?
The InChIKey is ZWYXMDAWRIOCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-10-8-14-12(7-9(2)16)15-13(10)11-5-4-6-17-11/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one?
1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one has a molecular weight of 230.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one is sourced from PubChem (CID 123906460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).