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-(3H-inden-1-yl)ethanamine

C76H69BCl5F3N15NaO4S — CID 159327291

IUPACsodium;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-(3H-inden-1-yl)ethanamine
SMILESCS(=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.NCCC1=CCc2ccccc21.OB(O)c1cncc(F)c1.[H-].[Na+]
InChIInChI=1S/C20H16ClFN4.C20H17FN4.C15H13Cl2N3.C11H13N.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;12-8-7-10-6-5-9-3-1-2-4-11(9)10;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);1-4,6H,5,7-8,12H2;1-3,9-10H;2H,1H3;;/q;;;;;;+1;-1
InChIKeyQBUIPVXKVZZORR-UHFFFAOYSA-N
MW1556.62 g/mol
LogP12.30
Rot. Bonds18

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-(3H-inden-1-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-(3H-inden-1-yl)ethanamine (PubChem CID 159327291) has the molecular formula C76H69BCl5F3N15NaO4S and a molecular weight of 1556.62 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-(3H-inden-1-yl)ethanamine.

Molecular Properties

Compound Namesodium;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-(3H-inden-1-yl)ethanamine
PubChem CID159327291
Molecular FormulaC76H69BCl5F3N15NaO4S
Molecular Weight1556.62 g/mol
Exact Mass1553.38
IUPAC Namesodium;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-(3H-inden-1-yl)ethanamine
SMILESCS(=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.NCCC1=CCc2ccccc21.OB(O)c1cncc(F)c1.[H-].[Na+]
InChIInChI=1S/C20H16ClFN4.C20H17FN4.C15H13Cl2N3.C11H13N.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;12-8-7-10-6-5-9-3-1-2-4-11(9)10;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);1-4,6H,5,7-8,12H2;1-3,9-10H;2H,1H3;;/q;;;;;;+1;-1
InChIKeyQBUIPVXKVZZORR-UHFFFAOYSA-N
XLogP12.30
TPSA278.50 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001556.62
LogP ≤ 512.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 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-(3H-inden-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]boronic acid;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;6-fluoro-N-[6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyrimidine
CID 165102989
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

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-(3H-inden-1-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-(3H-inden-1-yl)ethanamine (CID 159327291) 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-(3H-inden-1-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-(3H-inden-1-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-(3H-inden-1-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.NCCC1=CCc2ccccc21.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-(3H-inden-1-yl)ethanamine?
The InChIKey is QBUIPVXKVZZORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4.C20H17FN4.C15H13Cl2N3.C11H13N.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;12-8-7-10-6-5-9-3-1-2-4-11(9)10;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);1-4,6H,5,7-8,12H2;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-(3H-inden-1-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-(3H-inden-1-yl)ethanamine has a molecular weight of 1556.62 g/mol, XLogP of 12.30, 18 rotatable bonds, 6 hydrogen bond donors, and 19 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-(3H-inden-1-yl)ethanamine is sourced from PubChem (CID 159327291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).