1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate

C148H171Cl6N27O9S — CID 157233427

About 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate

1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate (PubChem CID 157233427) has the molecular formula C148H171Cl6N27O9S and a molecular weight of 2716.96 g/mol. Its IUPAC name is 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate.

Molecular Properties

• Compound Name: 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate
• PubChem CID: 157233427
• Molecular Formula: C148H171Cl6N27O9S
• Molecular Weight: 2716.96 g/mol
• Exact Mass: 2712.16
• IUPAC Name: 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate
• SMILES: CCC(C)NC(=O)Nc1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.CCNC(=S)Nc1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NC(=O)N3CCOCC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NC(=O)OCC(C)(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NC(=O)OCC(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(CC(=O)OC(C)C)cc2)nc(N)n1
• InChI: InChI=1S/C26H31ClN4O2.C25H28ClN5O2.C25H30ClN5O.C25H29ClN4O2.C24H27ClN4O2.C23H26ClN5S/c1-17-21(9-6-10-22(17)27)23-15-20(29-24(28)31-23)8-5-7-18-11-13-19(14-12-18)30-25(32)33-16-26(2,3)4;1-17-21(6-3-7-22(17)26)23-16-20(28-24(27)30-23)5-2-4-18-8-10-19(11-9-18)29-25(32)31-12-14-33-15-13-31;1-4-16(2)28-25(32)30-19-13-11-18(12-14-19)7-5-8-20-15-23(31-24(27)29-20)21-9-6-10-22(26)17(21)3;1-16(2)15-32-25(31)29-19-12-10-18(11-13-19)6-4-7-20-14-23(30-24(27)28-20)21-8-5-9-22(26)17(21)3;1-15(2)31-23(30)13-18-9-7-17(8-10-18)11-12-27-22-14-21(28-24(26)29-22)19-5-4-6-20(25)16(19)3;1-3-26-23(30)28-17-12-10-16(11-13-17)6-4-7-18-14-21(29-22(25)27-18)19-8-5-9-20(24)15(19)2/h6,9-15H,5,7-8,16H2,1-4H3,(H,30,32)(H2,28,29,31);3,6-11,16H,2,4-5,12-15H2,1H3,(H,29,32)(H2,27,28,30);6,9-16H,4-5,7-8H2,1-3H3,(H2,27,29,31)(H2,28,30,32);5,8-14,16H,4,6-7,15H2,1-3H3,(H,29,31)(H2,27,28,30);4-10,14-15H,11-13H2,1-3H3,(H3,26,27,28,29);5,8-14H,3-4,6-7H2,1-2H3,(H2,25,27,29)(H2,26,28,30)
• InChIKey: AUJCJZLRDVZEKX-UHFFFAOYSA-N
• XLogP: 33.04
• TPSA: 532.55 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 29
• Rotatable Bonds: 44
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2716.96
LogP ≤ 5	33.04
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate?

The IUPAC name of 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate (CID 157233427) is 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate.

What is the SMILES notation for 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate?

The canonical SMILES for 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate is CCC(C)NC(=O)Nc1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.CCNC(=S)Nc1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NC(=O)N3CCOCC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NC(=O)OCC(C)(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NC(=O)OCC(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(CC(=O)OC(C)C)cc2)nc(N)n1.

What is the InChIKey of 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate?

The InChIKey is AUJCJZLRDVZEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O2.C25H28ClN5O2.C25H30ClN5O.C25H29ClN4O2.C24H27ClN4O2.C23H26ClN5S/c1-17-21(9-6-10-22(17)27)23-15-20(29-24(28)31-23)8-5-7-18-11-13-19(14-12-18)30-25(32)33-16-26(2,3)4;1-17-21(6-3-7-22(17)26)23-16-20(28-24(27)30-23)5-2-4-18-8-10-19(11-9-18)29-25(32)31-12-14-33-15-13-31;1-4-16(2)28-25(32)30-19-13-11-18(12-14-19)7-5-8-20-15-23(31-24(27)29-20)21-9-6-10-22(26)17(21)3;1-16(2)15-32-25(31)29-19-12-10-18(11-13-19)6-4-7-20-14-23(30-24(27)28-20)21-8-5-9-22(26)17(21)3;1-15(2)31-23(30)13-18-9-7-17(8-10-18)11-12-27-22-14-21(28-24(26)29-22)19-5-4-6-20(25)16(19)3;1-3-26-23(30)28-17-12-10-16(11-13-17)6-4-7-18-14-21(29-22(25)27-18)19-8-5-9-20(24)15(19)2/h6,9-15H,5,7-8,16H2,1-4H3,(H,30,32)(H2,28,29,31);3,6-11,16H,2,4-5,12-15H2,1H3,(H,29,32)(H2,27,28,30);6,9-16H,4-5,7-8H2,1-3H3,(H2,27,29,31)(H2,28,30,32);5,8-14,16H,4,6-7,15H2,1-3H3,(H,29,31)(H2,27,28,30);4-10,14-15H,11-13H2,1-3H3,(H3,26,27,28,29);5,8-14H,3-4,6-7H2,1-2H3,(H2,25,27,29)(H2,26,28,30).

What are the key properties of 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate?

1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate has a molecular weight of 2716.96 g/mol, XLogP of 33.04, 44 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate is sourced from PubChem (CID 157233427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).