4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-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;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

C126H139ClFN29O5 — CID 158853768

About 4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-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;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-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;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 158853768) has the molecular formula C126H139ClFN29O5 and a molecular weight of 2194.15 g/mol. Its IUPAC name is 4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-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;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-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;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
• PubChem CID: 158853768
• Molecular Formula: C126H139ClFN29O5
• Molecular Weight: 2194.15 g/mol
• Exact Mass: 2192.12
• IUPAC Name: 4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-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;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
• SMILES: Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(C)c2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(Cl)c2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(F)c2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2[nH]ccc12
• InChI: InChI=1S/C26H30N6O.C25H27ClN6O.C25H27FN6O.C25H28N6O.C25H27N5O/c1-18-5-10-23(22-11-12-27-24(18)22)30-25-19(2)17-28-26(31-25)29-20-6-8-21(9-7-20)33-16-15-32-13-3-4-14-32;2*1-17-16-28-25(31-24(17)30-22-9-8-21(26)23-20(22)10-11-27-23)29-18-4-6-19(7-5-18)33-15-14-32-12-2-3-13-32;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;1-17-16-27-25(30-24(17)29-23-9-5-8-22-21(23)14-15-26-22)28-18-10-12-20(13-11-18)31-19-6-3-2-4-7-19/h5-12,17,27H,3-4,13-16H2,1-2H3,(H2,28,29,30,31);2*4-11,16,27H,2-3,12-15H2,1H3,(H2,28,29,30,31);4-12,17,26H,2-3,13-16H2,1H3,(H2,27,28,29,30);5,8-16,19,26H,2-4,6-7H2,1H3,(H2,27,28,29,30)
• InChIKey: IZTYYCKIMIUSID-UHFFFAOYSA-N
• XLogP: 28.48
• TPSA: 387.26 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 29
• Rotatable Bonds: 38
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2194.15
LogP ≤ 5	28.48
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-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;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-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;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine (CID 158853768) is 4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-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;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-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;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-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;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine is Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(C)c2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(Cl)c2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(F)c2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc2[nH]ccc12.

What is the InChIKey of 4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-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;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?

The InChIKey is IZTYYCKIMIUSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O.C25H27ClN6O.C25H27FN6O.C25H28N6O.C25H27N5O/c1-18-5-10-23(22-11-12-27-24(18)22)30-25-19(2)17-28-26(31-25)29-20-6-8-21(9-7-20)33-16-15-32-13-3-4-14-32;2*1-17-16-28-25(31-24(17)30-22-9-8-21(26)23-20(22)10-11-27-23)29-18-4-6-19(7-5-18)33-15-14-32-12-2-3-13-32;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;1-17-16-27-25(30-24(17)29-23-9-5-8-22-21(23)14-15-26-22)28-18-10-12-20(13-11-18)31-19-6-3-2-4-7-19/h5-12,17,27H,3-4,13-16H2,1-2H3,(H2,28,29,30,31);2*4-11,16,27H,2-3,12-15H2,1H3,(H2,28,29,30,31);4-12,17,26H,2-3,13-16H2,1H3,(H2,27,28,29,30);5,8-16,19,26H,2-4,6-7H2,1H3,(H2,27,28,29,30).

What are the key properties of 4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-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;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?

4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-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;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2194.15 g/mol, XLogP of 28.48, 38 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(7-fluoro-1H-indol-4-yl)-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;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158853768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).