5-bromo-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-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-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C99H115BrClF3N19O6P3 — CID 159104004

About 5-bromo-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-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-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

5-bromo-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-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-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 159104004) has the molecular formula C99H115BrClF3N19O6P3 and a molecular weight of 1932.41 g/mol. Its IUPAC name is 5-bromo-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-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-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-bromo-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-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-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
• PubChem CID: 159104004
• Molecular Formula: C99H115BrClF3N19O6P3
• Molecular Weight: 1932.41 g/mol
• Exact Mass: 1929.73
• IUPAC Name: 5-bromo-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-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-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
• SMILES: COc1cc(N2CCC3(CC2)CN(C)C3)c(C)cc1Nc1nc(Nc2ccc3ccccc3c2P(C)(C)=O)c2cc[nH]c2n1.COc1cc(N2CCC3(CC2)CN(C)C3)c(C)cc1Nc1ncc(Br)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1.COc1cc(N2CCC3(CC2)CN(CC(F)(F)F)C3)c(C)cc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1
• InChI: InChI=1S/C34H40N7O2P.C33H37ClF3N6O2P.C32H38BrN6O2P/c1-22-18-27(29(43-3)19-28(22)41-16-13-34(14-17-41)20-40(2)21-34)37-33-38-31-25(12-15-35-31)32(39-33)36-26-11-10-23-8-6-7-9-24(23)30(26)44(4,5)42;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;1-21-16-26(28(41-3)17-27(21)39-14-12-32(13-15-39)19-38(2)20-32)36-31-34-18-24(33)30(37-31)35-25-11-10-22-8-6-7-9-23(22)29(25)42(4,5)40/h6-12,15,18-19H,13-14,16-17,20-21H2,1-5H3,(H3,35,36,37,38,39);5-10,15-17H,11-14,18-20H2,1-4H3,(H2,38,39,40,41);6-11,16-18H,12-15,19-20H2,1-5H3,(H2,34,35,36,37)
• InChIKey: KDQKWCBBZQEZSH-UHFFFAOYSA-N
• XLogP: 21.47
• TPSA: 263.65 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1932.41
LogP ≤ 5	21.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-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-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

The IUPAC name of 5-bromo-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-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-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 159104004) is 5-bromo-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-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-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 5-bromo-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-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-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

The canonical SMILES for 5-bromo-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-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-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is COc1cc(N2CCC3(CC2)CN(C)C3)c(C)cc1Nc1nc(Nc2ccc3ccccc3c2P(C)(C)=O)c2cc[nH]c2n1.COc1cc(N2CCC3(CC2)CN(C)C3)c(C)cc1Nc1ncc(Br)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1.COc1cc(N2CCC3(CC2)CN(CC(F)(F)F)C3)c(C)cc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1.

What is the InChIKey of 5-bromo-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-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-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

The InChIKey is KDQKWCBBZQEZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N7O2P.C33H37ClF3N6O2P.C32H38BrN6O2P/c1-22-18-27(29(43-3)19-28(22)41-16-13-34(14-17-41)20-40(2)21-34)37-33-38-31-25(12-15-35-31)32(39-33)36-26-11-10-23-8-6-7-9-24(23)30(26)44(4,5)42;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;1-21-16-26(28(41-3)17-27(21)39-14-12-32(13-15-39)19-38(2)20-32)36-31-34-18-24(33)30(37-31)35-25-11-10-22-8-6-7-9-23(22)29(25)42(4,5)40/h6-12,15,18-19H,13-14,16-17,20-21H2,1-5H3,(H3,35,36,37,38,39);5-10,15-17H,11-14,18-20H2,1-4H3,(H2,38,39,40,41);6-11,16-18H,12-15,19-20H2,1-5H3,(H2,34,35,36,37).

What are the key properties of 5-bromo-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-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-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

5-bromo-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-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-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 1932.41 g/mol, XLogP of 21.47, 22 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-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-methyl-4-[2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]pyrimidine-2,4-diamine;4-N-(1-dimethylphosphorylnaphthalen-2-yl)-2-N-[2-methoxy-5-methyl-4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 159104004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).