sodium;4-chloro-6-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;(5-fluoro-3-pyridinyl)boronic acid;4-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;hydride;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine

C74H67BCl5F3N17NaO4S — CID 159402564

About sodium;4-chloro-6-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;(5-fluoro-3-pyridinyl)boronic acid;4-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;hydride;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine

sodium;4-chloro-6-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;(5-fluoro-3-pyridinyl)boronic acid;4-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;hydride;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine (PubChem CID 159402564) has the molecular formula C74H67BCl5F3N17NaO4S and a molecular weight of 1558.59 g/mol. Its IUPAC name is sodium;4-chloro-6-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;(5-fluoro-3-pyridinyl)boronic acid;4-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;hydride;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine.

Molecular Properties

• Compound Name: sodium;4-chloro-6-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;(5-fluoro-3-pyridinyl)boronic acid;4-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;hydride;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine
• PubChem CID: 159402564
• Molecular Formula: C74H67BCl5F3N17NaO4S
• Molecular Weight: 1558.59 g/mol
• Exact Mass: 1555.37
• IUPAC Name: sodium;4-chloro-6-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;(5-fluoro-3-pyridinyl)boronic acid;4-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;hydride;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine
• SMILES: CS(=O)(=O)c1nc(Cl)cc(Cl)n1.Clc1cc(Cl)nc(NCCC2=CCc3ccccc32)n1.Fc1cncc(-c2cc(Cl)nc(NCCC3=CCc4ccccc43)n2)c1.Fc1cncc(-c2ccnc(NCCC3=CCc4ccccc43)n2)c1.NCCc1c[nH]c2cccnc12.OB(O)c1cncc(F)c1.[H-].[Na+]
• InChI: InChI=1S/C20H16ClFN4.C20H17FN4.C15H13Cl2N3.C9H11N3.C5H5BFNO2.C5H4Cl2N2O2S.Na.H/c21-19-10-18(15-9-16(22)12-23-11-15)25-20(26-19)24-8-7-14-6-5-13-3-1-2-4-17(13)14;21-17-11-16(12-22-13-17)19-8-10-24-20(25-19)23-9-7-15-6-5-14-3-1-2-4-18(14)15;16-13-9-14(17)20-15(19-13)18-8-7-11-6-5-10-3-1-2-4-12(10)11;10-4-3-7-6-12-8-2-1-5-11-9(7)8;7-5-1-4(6(9)10)2-8-3-5;1-12(10,11)5-8-3(6)2-4(7)9-5;;/h1-4,6,9-12H,5,7-8H2,(H,24,25,26);1-4,6,8,10-13H,5,7,9H2,(H,23,24,25);1-4,6,9H,5,7-8H2,(H,18,19,20);1-2,5-6,12H,3-4,10H2;1-3,9-10H;2H,1H3;;/q;;;;;;+1;-1
• InChIKey: GUWIDPSIDIGQDY-UHFFFAOYSA-N
• XLogP: 11.39
• TPSA: 307.18 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1558.59
LogP ≤ 5	11.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;4-chloro-6-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;(5-fluoro-3-pyridinyl)boronic acid;4-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;hydride;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine?

The IUPAC name of sodium;4-chloro-6-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;(5-fluoro-3-pyridinyl)boronic acid;4-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;hydride;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine (CID 159402564) is sodium;4-chloro-6-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;(5-fluoro-3-pyridinyl)boronic acid;4-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;hydride;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine.

What is the SMILES notation for sodium;4-chloro-6-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;(5-fluoro-3-pyridinyl)boronic acid;4-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;hydride;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine?

The canonical SMILES for sodium;4-chloro-6-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;(5-fluoro-3-pyridinyl)boronic acid;4-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;hydride;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine is CS(=O)(=O)c1nc(Cl)cc(Cl)n1.Clc1cc(Cl)nc(NCCC2=CCc3ccccc32)n1.Fc1cncc(-c2cc(Cl)nc(NCCC3=CCc4ccccc43)n2)c1.Fc1cncc(-c2ccnc(NCCC3=CCc4ccccc43)n2)c1.NCCc1c[nH]c2cccnc12.OB(O)c1cncc(F)c1.[H-].[Na+].

What is the InChIKey of sodium;4-chloro-6-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;(5-fluoro-3-pyridinyl)boronic acid;4-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;hydride;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine?

The InChIKey is GUWIDPSIDIGQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4.C20H17FN4.C15H13Cl2N3.C9H11N3.C5H5BFNO2.C5H4Cl2N2O2S.Na.H/c21-19-10-18(15-9-16(22)12-23-11-15)25-20(26-19)24-8-7-14-6-5-13-3-1-2-4-17(13)14;21-17-11-16(12-22-13-17)19-8-10-24-20(25-19)23-9-7-15-6-5-14-3-1-2-4-18(14)15;16-13-9-14(17)20-15(19-13)18-8-7-11-6-5-10-3-1-2-4-12(10)11;10-4-3-7-6-12-8-2-1-5-11-9(7)8;7-5-1-4(6(9)10)2-8-3-5;1-12(10,11)5-8-3(6)2-4(7)9-5;;/h1-4,6,9-12H,5,7-8H2,(H,24,25,26);1-4,6,8,10-13H,5,7,9H2,(H,23,24,25);1-4,6,9H,5,7-8H2,(H,18,19,20);1-2,5-6,12H,3-4,10H2;1-3,9-10H;2H,1H3;;/q;;;;;;+1;-1.

What are the key properties of sodium;4-chloro-6-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;(5-fluoro-3-pyridinyl)boronic acid;4-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;hydride;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine?

sodium;4-chloro-6-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;(5-fluoro-3-pyridinyl)boronic acid;4-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;hydride;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine has a molecular weight of 1558.59 g/mol, XLogP of 11.39, 18 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-chloro-6-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;(5-fluoro-3-pyridinyl)boronic acid;4-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrimidin-2-amine;hydride;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine is sourced from PubChem (CID 159402564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).