2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide

C91H128Br2N26O9S — CID 167653176

About 2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide

2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide (PubChem CID 167653176) has the molecular formula C91H128Br2N26O9S and a molecular weight of 1922.07 g/mol. Its IUPAC name is 2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide.

Molecular Properties

• Compound Name: 2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide
• PubChem CID: 167653176
• Molecular Formula: C91H128Br2N26O9S
• Molecular Weight: 1922.07 g/mol
• Exact Mass: 1918.84
• IUPAC Name: 2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide
• SMILES: Br.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)CC1.CN(C)CCBr.CN(C)CCN1CCC(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)CC1.CS(=O)c1ncc2cc(C#N)c(=O)n(C3CCCC3)c2n1.N#Cc1cc2cnc(NC3CCNCC3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C23H30N6O3.C22H31N7O.C18H22N6O.C14H14N4O2S.C10H20N2O2.C4H10BrN.BrH/c1-23(2,3)32-22(31)28-10-8-17(9-11-28)26-21-25-14-16-12-15(13-24)20(30)29(19(16)27-21)18-6-4-5-7-18;1-27(2)11-12-28-9-7-18(8-10-28)25-22-24-15-17-13-16(14-23)21(30)29(20(17)26-22)19-5-3-4-6-19;19-10-12-9-13-11-21-18(22-14-5-7-20-8-6-14)23-16(13)24(17(12)25)15-3-1-2-4-15;1-21(20)14-16-8-10-6-9(7-15)13(19)18(12(10)17-14)11-4-2-3-5-11;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-6(2)4-3-5;/h12,14,17-18H,4-11H2,1-3H3,(H,25,26,27);13,15,18-19H,3-12H2,1-2H3,(H,24,25,26);9,11,14-15,20H,1-8H2,(H,21,22,23);6,8,11H,2-5H2,1H3;8H,4-7,11H2,1-3H3;3-4H2,1-2H3;1H
• InChIKey: NTMRZROMVWZPGP-UHFFFAOYSA-N
• XLogP: 12.13
• TPSA: 446.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1922.07
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide?

The IUPAC name of 2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide (CID 167653176) is 2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide.

What is the SMILES notation for 2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide?

The canonical SMILES for 2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide is Br.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)CC1.CN(C)CCBr.CN(C)CCN1CCC(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)CC1.CS(=O)c1ncc2cc(C#N)c(=O)n(C3CCCC3)c2n1.N#Cc1cc2cnc(NC3CCNCC3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of 2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide?

The InChIKey is NTMRZROMVWZPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3.C22H31N7O.C18H22N6O.C14H14N4O2S.C10H20N2O2.C4H10BrN.BrH/c1-23(2,3)32-22(31)28-10-8-17(9-11-28)26-21-25-14-16-12-15(13-24)20(30)29(19(16)27-21)18-6-4-5-7-18;1-27(2)11-12-28-9-7-18(8-10-28)25-22-24-15-17-13-16(14-23)21(30)29(20(17)26-22)19-5-3-4-6-19;19-10-12-9-13-11-21-18(22-14-5-7-20-8-6-14)23-16(13)24(17(12)25)15-3-1-2-4-15;1-21(20)14-16-8-10-6-9(7-15)13(19)18(12(10)17-14)11-4-2-3-5-11;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-6(2)4-3-5;/h12,14,17-18H,4-11H2,1-3H3,(H,25,26,27);13,15,18-19H,3-12H2,1-2H3,(H,24,25,26);9,11,14-15,20H,1-8H2,(H,21,22,23);6,8,11H,2-5H2,1H3;8H,4-7,11H2,1-3H3;3-4H2,1-2H3;1H.

What are the key properties of 2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide?

2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide has a molecular weight of 1922.07 g/mol, XLogP of 12.13, 16 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N,N-dimethylethanamine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate;8-cyclopentyl-2-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-7-oxo-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile;hydrobromide is sourced from PubChem (CID 167653176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).