N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrrolidine-1-carboxamide;1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;2-methylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;propan-2-yl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate

C144H170Cl6N34O10 — CID 159261262

About N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrrolidine-1-carboxamide;1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;2-methylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;propan-2-yl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate

N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrrolidine-1-carboxamide;1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;2-methylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;propan-2-yl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate (PubChem CID 159261262) has the molecular formula C144H170Cl6N34O10 and a molecular weight of 2749.89 g/mol. Its IUPAC name is N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrrolidine-1-carboxamide;1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;2-methylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;propan-2-yl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate.

Molecular Properties

• Compound Name: N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrrolidine-1-carboxamide;1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;2-methylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;propan-2-yl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
• PubChem CID: 159261262
• Molecular Formula: C144H170Cl6N34O10
• Molecular Weight: 2749.89 g/mol
• Exact Mass: 2745.20
• IUPAC Name: N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrrolidine-1-carboxamide;1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;2-methylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;propan-2-yl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
• SMILES: Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(NC(=O)NC(C)(C)C)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(NC(=O)OC(C)(C)C)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)N3CCCC3)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)OC(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)OCC(C)(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)OCC(C)C)c2)nc(N)n1
• InChI: InChI=1S/C25H30ClN5O2.C24H30ClN7O.C24H29ClN6O2.C24H27ClN6O.C24H28ClN5O2.C23H26ClN5O2/c1-16-19(9-6-10-20(16)26)21-14-22(31-23(27)30-21)28-12-11-17-7-5-8-18(13-17)29-24(32)33-15-25(2,3)4;1-15-18(8-5-9-19(15)25)20-13-21(31-22(26)30-20)27-12-6-7-16-10-11-17(14-28-16)29-23(33)32-24(2,3)4;1-15-18(8-5-9-19(15)25)20-13-21(31-22(26)30-20)27-12-6-7-16-10-11-17(14-28-16)29-23(32)33-24(2,3)4;1-16-19(8-5-9-20(16)25)21-15-22(30-23(26)29-21)27-11-10-17-6-4-7-18(14-17)28-24(32)31-12-2-3-13-31;1-15(2)14-32-24(31)28-18-7-4-6-17(12-18)10-11-27-22-13-21(29-23(26)30-22)19-8-5-9-20(25)16(19)3;1-14(2)31-23(30)27-17-7-4-6-16(12-17)10-11-26-21-13-20(28-22(25)29-21)18-8-5-9-19(24)15(18)3/h5-10,13-14H,11-12,15H2,1-4H3,(H,29,32)(H3,27,28,30,31);5,8-11,13-14H,6-7,12H2,1-4H3,(H2,29,32,33)(H3,26,27,30,31);5,8-11,13-14H,6-7,12H2,1-4H3,(H,29,32)(H3,26,27,30,31);4-9,14-15H,2-3,10-13H2,1H3,(H,28,32)(H3,26,27,29,30);4-9,12-13,15H,10-11,14H2,1-3H3,(H,28,31)(H3,26,27,29,30);4-9,12-14H,10-11H2,1-3H3,(H,27,30)(H3,25,26,28,29)
• InChIKey: KWNPCLNTKAVQTO-UHFFFAOYSA-N
• XLogP: 32.27
• TPSA: 635.55 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2749.89
LogP ≤ 5	32.27
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrrolidine-1-carboxamide;1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;2-methylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;propan-2-yl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?

The IUPAC name of N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrrolidine-1-carboxamide;1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;2-methylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;propan-2-yl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate (CID 159261262) is N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrrolidine-1-carboxamide;1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;2-methylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;propan-2-yl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate.

What is the SMILES notation for N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrrolidine-1-carboxamide;1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;2-methylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;propan-2-yl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?

The canonical SMILES for N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrrolidine-1-carboxamide;1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;2-methylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;propan-2-yl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate is Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(NC(=O)NC(C)(C)C)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(NC(=O)OC(C)(C)C)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)N3CCCC3)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)OC(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)OCC(C)(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)OCC(C)C)c2)nc(N)n1.

What is the InChIKey of N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrrolidine-1-carboxamide;1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;2-methylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;propan-2-yl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?

The InChIKey is KWNPCLNTKAVQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2.C24H30ClN7O.C24H29ClN6O2.C24H27ClN6O.C24H28ClN5O2.C23H26ClN5O2/c1-16-19(9-6-10-20(16)26)21-14-22(31-23(27)30-21)28-12-11-17-7-5-8-18(13-17)29-24(32)33-15-25(2,3)4;1-15-18(8-5-9-19(15)25)20-13-21(31-22(26)30-20)27-12-6-7-16-10-11-17(14-28-16)29-23(33)32-24(2,3)4;1-15-18(8-5-9-19(15)25)20-13-21(31-22(26)30-20)27-12-6-7-16-10-11-17(14-28-16)29-23(32)33-24(2,3)4;1-16-19(8-5-9-20(16)25)21-15-22(30-23(26)29-21)27-11-10-17-6-4-7-18(14-17)28-24(32)31-12-2-3-13-31;1-15(2)14-32-24(31)28-18-7-4-6-17(12-18)10-11-27-22-13-21(29-23(26)30-22)19-8-5-9-20(25)16(19)3;1-14(2)31-23(30)27-17-7-4-6-16(12-17)10-11-26-21-13-20(28-22(25)29-21)18-8-5-9-19(24)15(18)3/h5-10,13-14H,11-12,15H2,1-4H3,(H,29,32)(H3,27,28,30,31);5,8-11,13-14H,6-7,12H2,1-4H3,(H2,29,32,33)(H3,26,27,30,31);5,8-11,13-14H,6-7,12H2,1-4H3,(H,29,32)(H3,26,27,30,31);4-9,14-15H,2-3,10-13H2,1H3,(H,28,32)(H3,26,27,29,30);4-9,12-13,15H,10-11,14H2,1-3H3,(H,28,31)(H3,26,27,29,30);4-9,12-14H,10-11H2,1-3H3,(H,27,30)(H3,25,26,28,29).

What are the key properties of N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrrolidine-1-carboxamide;1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;2-methylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;propan-2-yl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?

N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrrolidine-1-carboxamide;1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;2-methylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;propan-2-yl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate has a molecular weight of 2749.89 g/mol, XLogP of 32.27, 42 rotatable bonds, 19 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrrolidine-1-carboxamide;1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;2-methylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate;propan-2-yl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate is sourced from PubChem (CID 159261262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).