4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-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;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

C149H168ClN31O6 — CID 157222592

About 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-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;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-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;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 157222592) has the molecular formula C149H168ClN31O6 and a molecular weight of 2524.65 g/mol. Its IUPAC name is 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-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;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-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;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
• PubChem CID: 157222592
• Molecular Formula: C149H168ClN31O6
• Molecular Weight: 2524.65 g/mol
• Exact Mass: 2522.35
• IUPAC Name: 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-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;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
• SMILES: Cc1cc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)ccc1Cl.Cc1ccc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)cc1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2ccccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1nccc2ccccc12.c1ccc(Cc2ccnc(Nc3ccc(OCCN4CCCC4)cc3)n2)cc1
• InChI: InChI=1S/C27H29N5O.C26H28N6O.C25H28N6O.C24H28ClN5O.C24H29N5O.C23H26N4O/c1-20-19-28-27(31-26(20)30-25-10-6-8-21-7-2-3-9-24(21)25)29-22-11-13-23(14-12-22)33-18-17-32-15-4-5-16-32;1-19-18-28-26(31-24(19)30-25-23-7-3-2-6-20(23)12-13-27-25)29-21-8-10-22(11-9-21)33-17-16-32-14-4-5-15-32;1-18-17-27-25(30-24(18)29-23-6-4-5-22-21(23)11-12-26-22)28-19-7-9-20(10-8-19)32-16-15-31-13-2-3-14-31;1-17-15-20(7-10-22(17)25)27-23-18(2)16-26-24(29-23)28-19-5-8-21(9-6-19)31-14-13-30-11-3-4-12-30;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;1-2-6-19(7-3-1)18-21-12-13-24-23(26-21)25-20-8-10-22(11-9-20)28-17-16-27-14-4-5-15-27/h2-3,6-14,19H,4-5,15-18H2,1H3,(H2,28,29,30,31);2-3,6-13,18H,4-5,14-17H2,1H3,(H2,27,28,29,30,31);4-12,17,26H,2-3,13-16H2,1H3,(H2,27,28,29,30);5-10,15-16H,3-4,11-14H2,1-2H3,(H2,26,27,28,29);5-12,17H,3-4,13-16H2,1-2H3,(H2,25,26,27,28);1-3,6-13H,4-5,14-18H2,(H,24,25,26)
• InChIKey: ATDYKNWXEJBYEW-UHFFFAOYSA-N
• XLogP: 31.47
• TPSA: 390.51 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 48
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2524.65
LogP ≤ 5	31.47
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-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;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-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;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine (CID 157222592) is 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-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;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-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;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-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;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine is Cc1cc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)ccc1Cl.Cc1ccc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)cc1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2ccccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1nccc2ccccc12.c1ccc(Cc2ccnc(Nc3ccc(OCCN4CCCC4)cc3)n2)cc1.

What is the InChIKey of 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-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;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?

The InChIKey is ATDYKNWXEJBYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O.C26H28N6O.C25H28N6O.C24H28ClN5O.C24H29N5O.C23H26N4O/c1-20-19-28-27(31-26(20)30-25-10-6-8-21-7-2-3-9-24(21)25)29-22-11-13-23(14-12-22)33-18-17-32-15-4-5-16-32;1-19-18-28-26(31-24(19)30-25-23-7-3-2-6-20(23)12-13-27-25)29-21-8-10-22(11-9-21)33-17-16-32-14-4-5-15-32;1-18-17-27-25(30-24(18)29-23-6-4-5-22-21(23)11-12-26-22)28-19-7-9-20(10-8-19)32-16-15-31-13-2-3-14-31;1-17-15-20(7-10-22(17)25)27-23-18(2)16-26-24(29-23)28-19-5-8-21(9-6-19)31-14-13-30-11-3-4-12-30;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;1-2-6-19(7-3-1)18-21-12-13-24-23(26-21)25-20-8-10-22(11-9-20)28-17-16-27-14-4-5-15-27/h2-3,6-14,19H,4-5,15-18H2,1H3,(H2,28,29,30,31);2-3,6-13,18H,4-5,14-17H2,1H3,(H2,27,28,29,30,31);4-12,17,26H,2-3,13-16H2,1H3,(H2,27,28,29,30);5-10,15-16H,3-4,11-14H2,1-2H3,(H2,26,27,28,29);5-12,17H,3-4,13-16H2,1-2H3,(H2,25,26,27,28);1-3,6-13H,4-5,14-18H2,(H,24,25,26).

What are the key properties of 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-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;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?

4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-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;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2524.65 g/mol, XLogP of 31.47, 48 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-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;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 157222592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).