bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal

C103H93ClN18O19S — CID 158326716

IUPACbis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal
SMILESCC(=O)Nc1ncc(-c2ccc(CCC=O)o2)cn1.CC(=O)c1ncc(-c2ccc(CCC=O)o2)cn1.CC(=O)c1ncc(-c2ccc(CCC=O)o2)cn1.CSc1ncc(-c2ccc(CCC=O)o2)cn1.Cc1ncc(-c2ccc(CCC=O)o2)cn1.O=CCCc1ccc(-c2cnc(-c3ccccc3)nc2)o1.O=CCCc1ccc(-c2cnc(Cl)nc2)o1.[C-]#[N+]c1ncc(-c2ccc(CCC=O)o2)cn1
InChIInChI=1S/C17H14N2O2.C13H13N3O3.2C13H12N2O3.C12H9N3O2.C12H12N2O2S.C12H12N2O2.C11H9ClN2O2/c20-10-4-7-15-8-9-16(21-15)14-11-18-17(19-12-14)13-5-2-1-3-6-13;1-9(18)16-13-14-7-10(8-15-13)12-5-4-11(19-12)3-2-6-17;2*1-9(17)13-14-7-10(8-15-13)12-5-4-11(18-12)3-2-6-16;1-13-12-14-7-9(8-15-12)11-5-4-10(17-11)3-2-6-16;1-17-12-13-7-9(8-14-12)11-5-4-10(16-11)3-2-6-15;1-9-13-7-10(8-14-9)12-5-4-11(16-12)3-2-6-15;12-11-13-6-8(7-14-11)10-4-3-9(16-10)2-1-5-15/h1-3,5-6,8-12H,4,7H2;4-8H,2-3H2,1H3,(H,14,15,16,18);2*4-8H,2-3H2,1H3;4-8H,2-3H2;4-8H,2-3H2,1H3;4-8H,2-3H2,1H3;3-7H,1-2H2
InChIKeyGPMOTZZEAQTCHT-UHFFFAOYSA-N
MW1954.50 g/mol
LogP19.21
Rot. Bonds37

About bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal

bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal (PubChem CID 158326716) has the molecular formula C103H93ClN18O19S and a molecular weight of 1954.50 g/mol. Its IUPAC name is bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal.

Molecular Properties

Compound Namebis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal
PubChem CID158326716
Molecular FormulaC103H93ClN18O19S
Molecular Weight1954.50 g/mol
Exact Mass1952.63
IUPAC Namebis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal
SMILESCC(=O)Nc1ncc(-c2ccc(CCC=O)o2)cn1.CC(=O)c1ncc(-c2ccc(CCC=O)o2)cn1.CC(=O)c1ncc(-c2ccc(CCC=O)o2)cn1.CSc1ncc(-c2ccc(CCC=O)o2)cn1.Cc1ncc(-c2ccc(CCC=O)o2)cn1.O=CCCc1ccc(-c2cnc(-c3ccccc3)nc2)o1.O=CCCc1ccc(-c2cnc(Cl)nc2)o1.[C-]#[N+]c1ncc(-c2ccc(CCC=O)o2)cn1
InChIInChI=1S/C17H14N2O2.C13H13N3O3.2C13H12N2O3.C12H9N3O2.C12H12N2O2S.C12H12N2O2.C11H9ClN2O2/c20-10-4-7-15-8-9-16(21-15)14-11-18-17(19-12-14)13-5-2-1-3-6-13;1-9(18)16-13-14-7-10(8-15-13)12-5-4-11(19-12)3-2-6-17;2*1-9(17)13-14-7-10(8-15-13)12-5-4-11(18-12)3-2-6-16;1-13-12-14-7-9(8-15-12)11-5-4-10(17-11)3-2-6-16;1-17-12-13-7-9(8-14-12)11-5-4-10(16-11)3-2-6-15;1-9-13-7-10(8-14-9)12-5-4-11(16-12)3-2-6-15;12-11-13-6-8(7-14-11)10-4-3-9(16-10)2-1-5-15/h1-3,5-6,8-12H,4,7H2;4-8H,2-3H2,1H3,(H,14,15,16,18);2*4-8H,2-3H2,1H3;4-8H,2-3H2;4-8H,2-3H2,1H3;4-8H,2-3H2,1H3;3-7H,1-2H2
InChIKeyGPMOTZZEAQTCHT-UHFFFAOYSA-N
XLogP19.21
TPSA515.52 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds37
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001954.50
LogP ≤ 519.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal with MolForge

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Related Compounds

1-[4-(5-Methylfuran-2-yl)phenyl]propan-2-one;5-(5-methylfuran-2-yl)-2-phenylpyrimidine;5-(5-methylfuran-2-yl)-2-piperazin-1-ylpyrimidine;bis(1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethanone);4-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]morpholine;2-methyl-5-(5-methylfuran-2-yl)pyrimidine
CID 159220615
2-chloro-5-(5-methylfuran-2-yl)pyrimidine;N,N-dimethyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine;2-isocyano-5-(5-methylfuran-2-yl)pyrimidine;5-(5-methylfuran-2-yl)-2-methylsulfanylpyrimidine;5-(5-methylfuran-2-yl)pyrimidin-2-amine;N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]acetamide;N-methyl-5-(5-methylfuran-2-yl)pyrimidin-2-amine
CID 162076790

Frequently Asked Questions

What is the IUPAC name of bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal?
The IUPAC name of bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal (CID 158326716) is bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal.
What is the SMILES notation for bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal?
The canonical SMILES for bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal is CC(=O)Nc1ncc(-c2ccc(CCC=O)o2)cn1.CC(=O)c1ncc(-c2ccc(CCC=O)o2)cn1.CC(=O)c1ncc(-c2ccc(CCC=O)o2)cn1.CSc1ncc(-c2ccc(CCC=O)o2)cn1.Cc1ncc(-c2ccc(CCC=O)o2)cn1.O=CCCc1ccc(-c2cnc(-c3ccccc3)nc2)o1.O=CCCc1ccc(-c2cnc(Cl)nc2)o1.[C-]#[N+]c1ncc(-c2ccc(CCC=O)o2)cn1.
What is the InChIKey of bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal?
The InChIKey is GPMOTZZEAQTCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2.C13H13N3O3.2C13H12N2O3.C12H9N3O2.C12H12N2O2S.C12H12N2O2.C11H9ClN2O2/c20-10-4-7-15-8-9-16(21-15)14-11-18-17(19-12-14)13-5-2-1-3-6-13;1-9(18)16-13-14-7-10(8-15-13)12-5-4-11(19-12)3-2-6-17;2*1-9(17)13-14-7-10(8-15-13)12-5-4-11(18-12)3-2-6-16;1-13-12-14-7-9(8-15-12)11-5-4-10(17-11)3-2-6-16;1-17-12-13-7-9(8-14-12)11-5-4-10(16-11)3-2-6-15;1-9-13-7-10(8-14-9)12-5-4-11(16-12)3-2-6-15;12-11-13-6-8(7-14-11)10-4-3-9(16-10)2-1-5-15/h1-3,5-6,8-12H,4,7H2;4-8H,2-3H2,1H3,(H,14,15,16,18);2*4-8H,2-3H2,1H3;4-8H,2-3H2;4-8H,2-3H2,1H3;4-8H,2-3H2,1H3;3-7H,1-2H2.
What are the key properties of bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal?
bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal has a molecular weight of 1954.50 g/mol, XLogP of 19.21, 37 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[5-(2-acetylpyrimidin-5-yl)furan-2-yl]propanal);3-[5-(2-chloropyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-isocyanopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-methylsulfanylpyrimidin-5-yl)furan-2-yl]propanal;N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]acetamide;3-[5-(2-phenylpyrimidin-5-yl)furan-2-yl]propanal is sourced from PubChem (CID 158326716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).