4-N-(3-chloro-4-isocyanophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methoxyphenyl)-5-isocyano-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methylphenyl)-5-methyl-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(3-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenol

C143H161Cl5N32O8 — CID 157177227

About 4-N-(3-chloro-4-isocyanophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methoxyphenyl)-5-isocyano-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methylphenyl)-5-methyl-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(3-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenol

4-N-(3-chloro-4-isocyanophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methoxyphenyl)-5-isocyano-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methylphenyl)-5-methyl-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(3-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenol (PubChem CID 157177227) has the molecular formula C143H161Cl5N32O8 and a molecular weight of 2633.34 g/mol. Its IUPAC name is 4-N-(3-chloro-4-isocyanophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methoxyphenyl)-5-isocyano-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methylphenyl)-5-methyl-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(3-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenol.

Molecular Properties

• Compound Name: 4-N-(3-chloro-4-isocyanophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methoxyphenyl)-5-isocyano-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methylphenyl)-5-methyl-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(3-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenol
• PubChem CID: 157177227
• Molecular Formula: C143H161Cl5N32O8
• Molecular Weight: 2633.34 g/mol
• Exact Mass: 2629.16
• IUPAC Name: 4-N-(3-chloro-4-isocyanophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methoxyphenyl)-5-isocyano-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methylphenyl)-5-methyl-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(3-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenol
• SMILES: Cc1cc(Nc2nc(Nc3cccc(OCCN4CCCC4)c3)ncc2C)c(Cl)cc1Cl.Cc1ccc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)cc1.Cc1cccc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(O)c1.[C-]#[N+]c1ccc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)cc1Cl.[C-]#[N+]c1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1Nc1cc(OC)c(Cl)cc1Cl
• InChI: InChI=1S/C24H24Cl2N6O2.C24H27Cl2N5O.C24H25ClN6O.2C24H29N5O.C23H27N5O2/c1-27-21-15-28-24(31-23(21)30-20-14-22(33-2)19(26)13-18(20)25)29-16-6-5-7-17(12-16)34-11-10-32-8-3-4-9-32;1-16-12-22(21(26)14-20(16)25)29-23-17(2)15-27-24(30-23)28-18-6-5-7-19(13-18)32-11-10-31-8-3-4-9-31;1-17-16-27-24(30-23(17)28-19-7-10-22(26-2)21(25)15-19)29-18-5-8-20(9-6-18)32-14-13-31-11-3-4-12-31;1-18-5-7-20(8-6-18)26-23-19(2)17-25-24(28-23)27-21-9-11-22(12-10-21)30-16-15-29-13-3-4-14-29;1-18-6-5-7-21(16-18)26-23-19(2)17-25-24(28-23)27-20-8-10-22(11-9-20)30-15-14-29-12-3-4-13-29;1-17-16-24-23(27-22(17)25-19-5-4-6-20(29)15-19)26-18-7-9-21(10-8-18)30-14-13-28-11-2-3-12-28/h5-7,12-15H,3-4,8-11H2,2H3,(H2,28,29,30,31);5-7,12-15H,3-4,8-11H2,1-2H3,(H2,27,28,29,30);5-10,15-16H,3-4,11-14H2,1H3,(H2,27,28,29,30);5-12,17H,3-4,13-16H2,1-2H3,(H2,25,26,27,28);5-11,16-17H,3-4,12-15H2,1-2H3,(H2,25,26,27,28);4-10,15-16,29H,2-3,11-14H2,1H3,(H2,24,25,26,27)
• InChIKey: AODQAICFQAPNNY-UHFFFAOYSA-N
• XLogP: 33.18
• TPSA: 412.04 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 49
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2633.34
LogP ≤ 5	33.18
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-isocyanophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methoxyphenyl)-5-isocyano-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methylphenyl)-5-methyl-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(3-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenol?

The IUPAC name of 4-N-(3-chloro-4-isocyanophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methoxyphenyl)-5-isocyano-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methylphenyl)-5-methyl-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(3-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenol (CID 157177227) is 4-N-(3-chloro-4-isocyanophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methoxyphenyl)-5-isocyano-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methylphenyl)-5-methyl-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(3-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenol.

What is the SMILES notation for 4-N-(3-chloro-4-isocyanophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methoxyphenyl)-5-isocyano-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methylphenyl)-5-methyl-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(3-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenol?

The canonical SMILES for 4-N-(3-chloro-4-isocyanophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methoxyphenyl)-5-isocyano-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methylphenyl)-5-methyl-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(3-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenol is Cc1cc(Nc2nc(Nc3cccc(OCCN4CCCC4)c3)ncc2C)c(Cl)cc1Cl.Cc1ccc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)cc1.Cc1cccc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(O)c1.[C-]#[N+]c1ccc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)cc1Cl.[C-]#[N+]c1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1Nc1cc(OC)c(Cl)cc1Cl.

What is the InChIKey of 4-N-(3-chloro-4-isocyanophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methoxyphenyl)-5-isocyano-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methylphenyl)-5-methyl-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(3-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenol?

The InChIKey is AODQAICFQAPNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N6O2.C24H27Cl2N5O.C24H25ClN6O.2C24H29N5O.C23H27N5O2/c1-27-21-15-28-24(31-23(21)30-20-14-22(33-2)19(26)13-18(20)25)29-16-6-5-7-17(12-16)34-11-10-32-8-3-4-9-32;1-16-12-22(21(26)14-20(16)25)29-23-17(2)15-27-24(30-23)28-18-6-5-7-19(13-18)32-11-10-31-8-3-4-9-31;1-17-16-27-24(30-23(17)28-19-7-10-22(26-2)21(25)15-19)29-18-5-8-20(9-6-18)32-14-13-31-11-3-4-12-31;1-18-5-7-20(8-6-18)26-23-19(2)17-25-24(28-23)27-21-9-11-22(12-10-21)30-16-15-29-13-3-4-14-29;1-18-6-5-7-21(16-18)26-23-19(2)17-25-24(28-23)27-20-8-10-22(11-9-20)30-15-14-29-12-3-4-13-29;1-17-16-24-23(27-22(17)25-19-5-4-6-20(29)15-19)26-18-7-9-21(10-8-18)30-14-13-28-11-2-3-12-28/h5-7,12-15H,3-4,8-11H2,2H3,(H2,28,29,30,31);5-7,12-15H,3-4,8-11H2,1-2H3,(H2,27,28,29,30);5-10,15-16H,3-4,11-14H2,1H3,(H2,27,28,29,30);5-12,17H,3-4,13-16H2,1-2H3,(H2,25,26,27,28);5-11,16-17H,3-4,12-15H2,1-2H3,(H2,25,26,27,28);4-10,15-16,29H,2-3,11-14H2,1H3,(H2,24,25,26,27).

What are the key properties of 4-N-(3-chloro-4-isocyanophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methoxyphenyl)-5-isocyano-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methylphenyl)-5-methyl-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(3-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenol?

4-N-(3-chloro-4-isocyanophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methoxyphenyl)-5-isocyano-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methylphenyl)-5-methyl-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(3-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenol has a molecular weight of 2633.34 g/mol, XLogP of 33.18, 49 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(3-chloro-4-isocyanophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methoxyphenyl)-5-isocyano-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2,4-dichloro-5-methylphenyl)-5-methyl-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(3-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 157177227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).