4-N-[4-chloro-3-(trifluoromethyl)phenyl]-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-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine

C148H173ClF6N36O7S — CID 157479536

About 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-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-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine

4-N-[4-chloro-3-(trifluoromethyl)phenyl]-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-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 157479536) has the molecular formula C148H173ClF6N36O7S and a molecular weight of 2749.76 g/mol. Its IUPAC name is 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-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-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-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-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
• PubChem CID: 157479536
• Molecular Formula: C148H173ClF6N36O7S
• Molecular Weight: 2749.76 g/mol
• Exact Mass: 2747.36
• IUPAC Name: 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-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-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
• SMILES: Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C2CCNCC2)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)C2CCNCC2)c1.Cc1cnc(Nc2ccc(OC3CCNCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(OC(F)(F)F)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccnc1
• InChI: InChI=1S/C27H35N7O2S.C27H35N7.C24H25ClF3N5O.C24H26F3N5O2.C24H26N6O.C22H26N6O/c1-20-19-29-27(31-21-6-8-23(9-7-21)34-16-14-33(2)15-17-34)32-26(20)30-22-4-3-5-25(18-22)37(35,36)24-10-12-28-13-11-24;1-20-19-29-27(31-23-6-8-25(9-7-23)34-16-14-33(2)15-17-34)32-26(20)30-24-5-3-4-22(18-24)21-10-12-28-13-11-21;1-16-15-29-23(32-22(16)30-18-6-9-21(25)20(14-18)24(26,27)28)31-17-4-7-19(8-5-17)34-13-12-33-10-2-3-11-33;1-17-16-28-23(31-22(17)29-19-5-4-6-21(15-19)34-24(25,26)27)30-18-7-9-20(10-8-18)33-14-13-32-11-2-3-12-32;1-16-15-27-24(30-23(16)29-22-4-2-3-21-20(22)11-14-26-21)28-17-5-7-18(8-6-17)31-19-9-12-25-13-10-19;1-17-15-24-22(27-21(17)25-19-5-4-10-23-16-19)26-18-6-8-20(9-7-18)29-14-13-28-11-2-3-12-28/h3-9,18-19,24,28H,10-17H2,1-2H3,(H2,29,30,31,32);3-9,18-19,21,28H,10-17H2,1-2H3,(H2,29,30,31,32);4-9,14-15H,2-3,10-13H2,1H3,(H2,29,30,31,32);4-10,15-16H,2-3,11-14H2,1H3,(H2,28,29,30,31);2-8,11,14-15,19,25-26H,9-10,12-13H2,1H3,(H2,27,28,29,30);4-10,15-16H,2-3,11-14H2,1H3,(H2,24,25,26,27)
• InChIKey: BVZRCWWNGCGOBT-UHFFFAOYSA-N
• XLogP: 29.13
• TPSA: 466.78 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 42
• Rotatable Bonds: 44
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2749.76
LogP ≤ 5	29.13
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-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-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-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-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine (CID 157479536) is 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-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-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-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-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-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-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine is Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C2CCNCC2)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)C2CCNCC2)c1.Cc1cnc(Nc2ccc(OC3CCNCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(OC(F)(F)F)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccnc1.

What is the InChIKey of 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-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-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?

The InChIKey is BVZRCWWNGCGOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2S.C27H35N7.C24H25ClF3N5O.C24H26F3N5O2.C24H26N6O.C22H26N6O/c1-20-19-29-27(31-21-6-8-23(9-7-21)34-16-14-33(2)15-17-34)32-26(20)30-22-4-3-5-25(18-22)37(35,36)24-10-12-28-13-11-24;1-20-19-29-27(31-23-6-8-25(9-7-23)34-16-14-33(2)15-17-34)32-26(20)30-24-5-3-4-22(18-24)21-10-12-28-13-11-21;1-16-15-29-23(32-22(16)30-18-6-9-21(25)20(14-18)24(26,27)28)31-17-4-7-19(8-5-17)34-13-12-33-10-2-3-11-33;1-17-16-28-23(31-22(17)29-19-5-4-6-21(15-19)34-24(25,26)27)30-18-7-9-20(10-8-18)33-14-13-32-11-2-3-12-32;1-16-15-27-24(30-23(16)29-22-4-2-3-21-20(22)11-14-26-21)28-17-5-7-18(8-6-17)31-19-9-12-25-13-10-19;1-17-15-24-22(27-21(17)25-19-5-4-10-23-16-19)26-18-6-8-20(9-7-18)29-14-13-28-11-2-3-12-28/h3-9,18-19,24,28H,10-17H2,1-2H3,(H2,29,30,31,32);3-9,18-19,21,28H,10-17H2,1-2H3,(H2,29,30,31,32);4-9,14-15H,2-3,10-13H2,1H3,(H2,29,30,31,32);4-10,15-16H,2-3,11-14H2,1H3,(H2,28,29,30,31);2-8,11,14-15,19,25-26H,9-10,12-13H2,1H3,(H2,27,28,29,30);4-10,15-16H,2-3,11-14H2,1H3,(H2,24,25,26,27).

What are the key properties of 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-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-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?

4-N-[4-chloro-3-(trifluoromethyl)phenyl]-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-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2749.76 g/mol, XLogP of 29.13, 44 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-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-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 157479536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).