lithium;4-bromofuran-2-carbaldehyde;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanol;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanone;(4-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;butane;4-chloro-5-iodopyrimidine;bis([4-(2,3-dihydrofuran-5-yl)furan-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone);dioxomanganese;ethanol;ethyl acetate;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;5-methyl-2,3-dihydrofuran

C109H133Br4Cl3ILiMnN16O20 — CID 161304463

About lithium;4-bromofuran-2-carbaldehyde;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanol;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanone;(4-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;butane;4-chloro-5-iodopyrimidine;bis([4-(2,3-dihydrofuran-5-yl)furan-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone);dioxomanganese;ethanol;ethyl acetate;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;5-methyl-2,3-dihydrofuran

lithium;4-bromofuran-2-carbaldehyde;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanol;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanone;(4-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;butane;4-chloro-5-iodopyrimidine;bis([4-(2,3-dihydrofuran-5-yl)furan-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone);dioxomanganese;ethanol;ethyl acetate;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;5-methyl-2,3-dihydrofuran (PubChem CID 161304463) has the molecular formula C109H133Br4Cl3ILiMnN16O20 and a molecular weight of 2602.11 g/mol. Its IUPAC name is lithium;4-bromofuran-2-carbaldehyde;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanol;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanone;(4-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;butane;4-chloro-5-iodopyrimidine;bis([4-(2,3-dihydrofuran-5-yl)furan-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone);dioxomanganese;ethanol;ethyl acetate;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;5-methyl-2,3-dihydrofuran.

Molecular Properties

• Compound Name: lithium;4-bromofuran-2-carbaldehyde;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanol;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanone;(4-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;butane;4-chloro-5-iodopyrimidine;bis([4-(2,3-dihydrofuran-5-yl)furan-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone);dioxomanganese;ethanol;ethyl acetate;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;5-methyl-2,3-dihydrofuran
• PubChem CID: 161304463
• Molecular Formula: C109H133Br4Cl3ILiMnN16O20
• Molecular Weight: 2602.11 g/mol
• Exact Mass: 2595.43
• IUPAC Name: lithium;4-bromofuran-2-carbaldehyde;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanol;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanone;(4-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;butane;4-chloro-5-iodopyrimidine;bis([4-(2,3-dihydrofuran-5-yl)furan-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone);dioxomanganese;ethanol;ethyl acetate;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;5-methyl-2,3-dihydrofuran
• SMILES: CC1=CCCO1.CCO.CCOC(C)=O.CC[C@H]1C[C@@H](N)C[C@@H]1C.CC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(Br)co2)C[C@@H]1C.CC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(C3=CCCO3)co2)C[C@@H]1C.CC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(C3=CCCO3)co2)C[C@@H]1C.Clc1ncncc1I.O=C(c1cc(Br)co1)c1cncnc1Cl.O=Cc1cc(Br)co1.O=[Mn]=O.OC(c1cc(Br)co1)c1cncnc1Cl.[CH2-]CCC.[Li+]
• InChI: InChI=1S/2C21H25N3O3.C17H20BrN3O2.C9H6BrClN2O2.C9H4BrClN2O2.C8H17N.C5H3BrO2.C5H8O.C4H2ClIN2.C4H8O2.C4H9.C2H6O.Li.Mn.2O/c2*1-3-14-8-16(7-13(14)2)24-21-17(10-22-12-23-21)20(25)19-9-15(11-27-19)18-5-4-6-26-18;1-3-11-5-13(4-10(11)2)21-17-14(7-19-9-20-17)16(22)15-6-12(18)8-23-15;2*10-5-1-7(15-3-5)8(14)6-2-12-4-13-9(6)11;1-3-7-5-8(9)4-6(7)2;6-4-1-5(2-7)8-3-4;1-5-3-2-4-6-5;5-4-3(6)1-7-2-8-4;1-3-6-4(2)5;1-3-4-2;1-2-3;;;;/h2*5,9-14,16H,3-4,6-8H2,1-2H3,(H,22,23,24);6-11,13H,3-5H2,1-2H3,(H,19,20,21);1-4,8,14H;1-4H;6-8H,3-5,9H2,1-2H3;1-3H;3H,2,4H2,1H3;1-2H;3H2,1-2H3;1,3-4H2,2H3;3H,2H2,1H3;;;;/q;;;;;;;;;;-1;;+1;;;/t2*13-,14-,16-;10-,11-,13-;;;6-,7-,8-;;;;;;;;;;/m000..0........../s1
• InChIKey: JRCKHHFPOOUQIW-LYAIXUABSA-N
• XLogP: 23.80
• TPSA: 509.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2602.11
LogP ≤ 5	23.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;4-bromofuran-2-carbaldehyde;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanol;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanone;(4-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;butane;4-chloro-5-iodopyrimidine;bis([4-(2,3-dihydrofuran-5-yl)furan-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone);dioxomanganese;ethanol;ethyl acetate;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;5-methyl-2,3-dihydrofuran?

The IUPAC name of lithium;4-bromofuran-2-carbaldehyde;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanol;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanone;(4-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;butane;4-chloro-5-iodopyrimidine;bis([4-(2,3-dihydrofuran-5-yl)furan-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone);dioxomanganese;ethanol;ethyl acetate;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;5-methyl-2,3-dihydrofuran (CID 161304463) is lithium;4-bromofuran-2-carbaldehyde;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanol;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanone;(4-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;butane;4-chloro-5-iodopyrimidine;bis([4-(2,3-dihydrofuran-5-yl)furan-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone);dioxomanganese;ethanol;ethyl acetate;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;5-methyl-2,3-dihydrofuran.

What is the SMILES notation for lithium;4-bromofuran-2-carbaldehyde;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanol;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanone;(4-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;butane;4-chloro-5-iodopyrimidine;bis([4-(2,3-dihydrofuran-5-yl)furan-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone);dioxomanganese;ethanol;ethyl acetate;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;5-methyl-2,3-dihydrofuran?

The canonical SMILES for lithium;4-bromofuran-2-carbaldehyde;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanol;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanone;(4-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;butane;4-chloro-5-iodopyrimidine;bis([4-(2,3-dihydrofuran-5-yl)furan-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone);dioxomanganese;ethanol;ethyl acetate;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;5-methyl-2,3-dihydrofuran is CC1=CCCO1.CCO.CCOC(C)=O.CC[C@H]1C[C@@H](N)C[C@@H]1C.CC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(Br)co2)C[C@@H]1C.CC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(C3=CCCO3)co2)C[C@@H]1C.CC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(C3=CCCO3)co2)C[C@@H]1C.Clc1ncncc1I.O=C(c1cc(Br)co1)c1cncnc1Cl.O=Cc1cc(Br)co1.O=[Mn]=O.OC(c1cc(Br)co1)c1cncnc1Cl.[CH2-]CCC.[Li+].

What is the InChIKey of lithium;4-bromofuran-2-carbaldehyde;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanol;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanone;(4-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;butane;4-chloro-5-iodopyrimidine;bis([4-(2,3-dihydrofuran-5-yl)furan-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone);dioxomanganese;ethanol;ethyl acetate;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;5-methyl-2,3-dihydrofuran?

The InChIKey is JRCKHHFPOOUQIW-LYAIXUABSA-N. The full InChI is InChI=1S/2C21H25N3O3.C17H20BrN3O2.C9H6BrClN2O2.C9H4BrClN2O2.C8H17N.C5H3BrO2.C5H8O.C4H2ClIN2.C4H8O2.C4H9.C2H6O.Li.Mn.2O/c2*1-3-14-8-16(7-13(14)2)24-21-17(10-22-12-23-21)20(25)19-9-15(11-27-19)18-5-4-6-26-18;1-3-11-5-13(4-10(11)2)21-17-14(7-19-9-20-17)16(22)15-6-12(18)8-23-15;2*10-5-1-7(15-3-5)8(14)6-2-12-4-13-9(6)11;1-3-7-5-8(9)4-6(7)2;6-4-1-5(2-7)8-3-4;1-5-3-2-4-6-5;5-4-3(6)1-7-2-8-4;1-3-6-4(2)5;1-3-4-2;1-2-3;;;;/h2*5,9-14,16H,3-4,6-8H2,1-2H3,(H,22,23,24);6-11,13H,3-5H2,1-2H3,(H,19,20,21);1-4,8,14H;1-4H;6-8H,3-5,9H2,1-2H3;1-3H;3H,2,4H2,1H3;1-2H;3H2,1-2H3;1,3-4H2,2H3;3H,2H2,1H3;;;;/q;;;;;;;;;;-1;;+1;;;/t2*13-,14-,16-;10-,11-,13-;;;6-,7-,8-;;;;;;;;;;/m000..0........../s1.

What are the key properties of lithium;4-bromofuran-2-carbaldehyde;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanol;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanone;(4-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;butane;4-chloro-5-iodopyrimidine;bis([4-(2,3-dihydrofuran-5-yl)furan-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone);dioxomanganese;ethanol;ethyl acetate;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;5-methyl-2,3-dihydrofuran?

lithium;4-bromofuran-2-carbaldehyde;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanol;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanone;(4-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;butane;4-chloro-5-iodopyrimidine;bis([4-(2,3-dihydrofuran-5-yl)furan-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone);dioxomanganese;ethanol;ethyl acetate;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;5-methyl-2,3-dihydrofuran has a molecular weight of 2602.11 g/mol, XLogP of 23.80, 25 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;4-bromofuran-2-carbaldehyde;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanol;(4-bromofuran-2-yl)-(4-chloropyrimidin-5-yl)methanone;(4-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;butane;4-chloro-5-iodopyrimidine;bis([4-(2,3-dihydrofuran-5-yl)furan-2-yl]-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone);dioxomanganese;ethanol;ethyl acetate;(1S,3S,4S)-3-ethyl-4-methylcyclopentan-1-amine;5-methyl-2,3-dihydrofuran is sourced from PubChem (CID 161304463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).