4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one

C114H112Cl2F6N19O10P5S2 — CID 162005606

About 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one

4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 162005606) has the molecular formula C114H112Cl2F6N19O10P5S2 and a molecular weight of 2312.17 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 162005606
• Molecular Formula: C114H112Cl2F6N19O10P5S2
• Molecular Weight: 2312.17 g/mol
• Exact Mass: 2309.63
• IUPAC Name: 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCCP(=O)(CCC)c1ccc(Nc2ncc3cc(-c4ccccc4C)c(=O)n(C)c3n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3csc4ccccc34)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.Cc1ccccc1-c1cc2cnc(Nc3ccc(P(C)(C)=O)cc3)nc2n(C)c1=O.Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(P(C)(C)=O)cc3)nc21
• InChI: InChI=1S/C27H31N4O2P.C23H23N4O2P.C22H19Cl2N4O2P.C21H22F3N4O3PS.C21H17F3N3OPS/c1-5-15-34(33,16-6-2)22-13-11-21(12-14-22)29-27-28-18-20-17-24(23-10-8-7-9-19(23)3)26(32)31(4)25(20)30-27;1-15-7-5-6-8-19(15)20-13-16-14-24-23(26-21(16)27(2)22(20)28)25-17-9-11-18(12-10-17)30(3,4)29;1-28-20-13(11-16(21(28)29)19-17(23)5-4-6-18(19)24)12-25-22(27-20)26-14-7-9-15(10-8-14)31(2,3)30;1-32(2,29)16-9-7-15(8-10-16)27-20-26-13-18(21(22,23)24)19(28-20)25-12-14-5-4-6-17(11-14)33(3,30)31;1-29(2,28)14-9-7-13(8-10-14)26-20-25-11-17(21(22,23)24)19(27-20)16-12-30-18-6-4-3-5-15(16)18/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,28,29,30);5-14H,1-4H3,(H,24,25,26);4-12H,1-3H3,(H,25,26,27);4-11,13H,12H2,1-3H3,(H2,25,26,27,28);3-12H,1-2H3,(H,25,26,27)
• InChIKey: YSUGBIMSHMVFEI-UHFFFAOYSA-N
• XLogP: 26.32
• TPSA: 386.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2312.17
LogP ≤ 5	26.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one (CID 162005606) is 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one is CCCP(=O)(CCC)c1ccc(Nc2ncc3cc(-c4ccccc4C)c(=O)n(C)c3n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3csc4ccccc34)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.Cc1ccccc1-c1cc2cnc(Nc3ccc(P(C)(C)=O)cc3)nc2n(C)c1=O.Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(P(C)(C)=O)cc3)nc21.

What is the InChIKey of 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is YSUGBIMSHMVFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N4O2P.C23H23N4O2P.C22H19Cl2N4O2P.C21H22F3N4O3PS.C21H17F3N3OPS/c1-5-15-34(33,16-6-2)22-13-11-21(12-14-22)29-27-28-18-20-17-24(23-10-8-7-9-19(23)3)26(32)31(4)25(20)30-27;1-15-7-5-6-8-19(15)20-13-16-14-24-23(26-21(16)27(2)22(20)28)25-17-9-11-18(12-10-17)30(3,4)29;1-28-20-13(11-16(21(28)29)19-17(23)5-4-6-18(19)24)12-25-22(27-20)26-14-7-9-15(10-8-14)31(2,3)30;1-32(2,29)16-9-7-15(8-10-16)27-20-26-13-18(21(22,23)24)19(28-20)25-12-14-5-4-6-17(11-14)33(3,30)31;1-29(2,28)14-9-7-13(8-10-14)26-20-25-11-17(21(22,23)24)19(27-20)16-12-30-18-6-4-3-5-15(16)18/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,28,29,30);5-14H,1-4H3,(H,24,25,26);4-12H,1-3H3,(H,25,26,27);4-11,13H,12H2,1-3H3,(H2,25,26,27,28);3-12H,1-2H3,(H,25,26,27).

What are the key properties of 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?

4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2312.17 g/mol, XLogP of 26.32, 27 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 162005606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).