5-chloro-2-N-[4-[2-[2-(dimethylamino)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxy-5-methylphenyl]-4-N-(1-dimethylphosphorylnaphthalen-2-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine

C99H114Cl3F3N19O7P3 — CID 164958315

About 5-chloro-2-N-[4-[2-[2-(dimethylamino)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxy-5-methylphenyl]-4-N-(1-dimethylphosphorylnaphthalen-2-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine

5-chloro-2-N-[4-[2-[2-(dimethylamino)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxy-5-methylphenyl]-4-N-(1-dimethylphosphorylnaphthalen-2-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine (PubChem CID 164958315) has the molecular formula C99H114Cl3F3N19O7P3 and a molecular weight of 1938.40 g/mol. Its IUPAC name is 5-chloro-2-N-[4-[2-[2-(dimethylamino)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxy-5-methylphenyl]-4-N-(1-dimethylphosphorylnaphthalen-2-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-chloro-2-N-[4-[2-[2-(dimethylamino)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxy-5-methylphenyl]-4-N-(1-dimethylphosphorylnaphthalen-2-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine
• PubChem CID: 164958315
• Molecular Formula: C99H114Cl3F3N19O7P3
• Molecular Weight: 1938.40 g/mol
• Exact Mass: 1935.74
• IUPAC Name: 5-chloro-2-N-[4-[2-[2-(dimethylamino)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxy-5-methylphenyl]-4-N-(1-dimethylphosphorylnaphthalen-2-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine
• SMILES: COc1cc(N2CCC3(CC2)CN(CC(F)(F)F)C3)c(C)cc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1.COc1cc(N2CCC3(CC2)CN(CCN(C)C)C3)c(C)cc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1.COc1ccc(OCCNCc2cccnc2)cc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1
• InChI: InChI=1S/C35H45ClN7O2P.C33H37ClF3N6O2P.C31H32ClN6O3P/c1-24-19-29(31(45-4)20-30(24)43-15-13-35(14-16-43)22-42(23-35)18-17-41(2)3)39-34-37-21-27(36)33(40-34)38-28-12-11-25-9-7-8-10-26(25)32(28)46(5,6)44;1-21-15-26(28(45-2)16-27(21)43-13-11-32(12-14-43)18-42(19-32)20-33(35,36)37)40-31-38-17-24(34)30(41-31)39-25-10-9-22-7-5-6-8-23(22)29(25)46(3,4)44;1-40-28-13-11-23(41-16-15-34-19-21-7-6-14-33-18-21)17-27(28)37-31-35-20-25(32)30(38-31)36-26-12-10-22-8-4-5-9-24(22)29(26)42(2,3)39/h7-12,19-21H,13-18,22-23H2,1-6H3,(H2,37,38,39,40);5-10,15-17H,11-14,18-20H2,1-4H3,(H2,38,39,40,41);4-14,17-18,20,34H,15-16,19H2,1-3H3,(H2,35,36,37,38)
• InChIKey: BLZQHUJVPJJTGQ-UHFFFAOYSA-N
• XLogP: 21.19
• TPSA: 278.77 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1938.40
LogP ≤ 5	21.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[4-[2-[2-(dimethylamino)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxy-5-methylphenyl]-4-N-(1-dimethylphosphorylnaphthalen-2-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine?

The IUPAC name of 5-chloro-2-N-[4-[2-[2-(dimethylamino)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxy-5-methylphenyl]-4-N-(1-dimethylphosphorylnaphthalen-2-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine (CID 164958315) is 5-chloro-2-N-[4-[2-[2-(dimethylamino)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxy-5-methylphenyl]-4-N-(1-dimethylphosphorylnaphthalen-2-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 5-chloro-2-N-[4-[2-[2-(dimethylamino)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxy-5-methylphenyl]-4-N-(1-dimethylphosphorylnaphthalen-2-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine?

The canonical SMILES for 5-chloro-2-N-[4-[2-[2-(dimethylamino)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxy-5-methylphenyl]-4-N-(1-dimethylphosphorylnaphthalen-2-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine is COc1cc(N2CCC3(CC2)CN(CC(F)(F)F)C3)c(C)cc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1.COc1cc(N2CCC3(CC2)CN(CCN(C)C)C3)c(C)cc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1.COc1ccc(OCCNCc2cccnc2)cc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1.

What is the InChIKey of 5-chloro-2-N-[4-[2-[2-(dimethylamino)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxy-5-methylphenyl]-4-N-(1-dimethylphosphorylnaphthalen-2-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine?

The InChIKey is BLZQHUJVPJJTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45ClN7O2P.C33H37ClF3N6O2P.C31H32ClN6O3P/c1-24-19-29(31(45-4)20-30(24)43-15-13-35(14-16-43)22-42(23-35)18-17-41(2)3)39-34-37-21-27(36)33(40-34)38-28-12-11-25-9-7-8-10-26(25)32(28)46(5,6)44;1-21-15-26(28(45-2)16-27(21)43-13-11-32(12-14-43)18-42(19-32)20-33(35,36)37)40-31-38-17-24(34)30(41-31)39-25-10-9-22-7-5-6-8-23(22)29(25)46(3,4)44;1-40-28-13-11-23(41-16-15-34-19-21-7-6-14-33-18-21)17-27(28)37-31-35-20-25(32)30(38-31)36-26-12-10-22-8-4-5-9-24(22)29(26)42(2,3)39/h7-12,19-21H,13-18,22-23H2,1-6H3,(H2,37,38,39,40);5-10,15-17H,11-14,18-20H2,1-4H3,(H2,38,39,40,41);4-14,17-18,20,34H,15-16,19H2,1-3H3,(H2,35,36,37,38).

What are the key properties of 5-chloro-2-N-[4-[2-[2-(dimethylamino)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxy-5-methylphenyl]-4-N-(1-dimethylphosphorylnaphthalen-2-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine?

5-chloro-2-N-[4-[2-[2-(dimethylamino)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxy-5-methylphenyl]-4-N-(1-dimethylphosphorylnaphthalen-2-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine has a molecular weight of 1938.40 g/mol, XLogP of 21.19, 30 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-[4-[2-[2-(dimethylamino)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-methoxy-5-methylphenyl]-4-N-(1-dimethylphosphorylnaphthalen-2-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-[2-(pyridin-3-ylmethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 164958315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).