5-chloro-2-N-[4-(4-cyclopropylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[6-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone;N-[3-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]-N-methylmethanesulfonamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(5-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

C120H148Cl5N28O17P5S3 — CID 160768100

About 5-chloro-2-N-[4-(4-cyclopropylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[6-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone;N-[3-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]-N-methylmethanesulfonamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(5-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

5-chloro-2-N-[4-(4-cyclopropylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[6-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone;N-[3-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]-N-methylmethanesulfonamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(5-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 160768100) has the molecular formula C120H148Cl5N28O17P5S3 and a molecular weight of 2683.02 g/mol. Its IUPAC name is 5-chloro-2-N-[4-(4-cyclopropylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[6-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone;N-[3-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]-N-methylmethanesulfonamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(5-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-chloro-2-N-[4-(4-cyclopropylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[6-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone;N-[3-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]-N-methylmethanesulfonamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(5-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 160768100
• Molecular Formula: C120H148Cl5N28O17P5S3
• Molecular Weight: 2683.02 g/mol
• Exact Mass: 2678.79
• IUPAC Name: 5-chloro-2-N-[4-(4-cyclopropylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[6-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone;N-[3-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]-N-methylmethanesulfonamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(5-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• SMILES: COc1cc(N2CCN(C3CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(N3CCN(C)CC3)cc2S(=O)(=O)C(C)C)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2cccnc2N(C)S(C)(=O)=O)n1.COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n1)N(C(=O)CN(C)C)CC2.COc1ccc(P(C)(C)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
• InChI: InChI=1S/C27H36ClN6O4PS.C26H32ClN6O2P.C25H30ClN6O3P.C22H26ClN4O4PS.C20H24ClN6O4PS/c1-18(2)40(36,37)25-15-19(34-13-11-33(3)12-14-34)7-9-23(25)30-26-21(28)17-29-27(32-26)31-22-10-8-20(39(5,6)35)16-24(22)38-4;1-35-23-16-19(33-14-12-32(13-15-33)18-8-9-18)10-11-21(23)30-26-28-17-20(27)25(31-26)29-22-6-4-5-7-24(22)36(2,3)34;1-31(2)15-23(33)32-11-10-16-12-21(35-3)19(13-20(16)32)29-25-27-14-17(26)24(30-25)28-18-8-6-7-9-22(18)36(4,5)34;1-14(2)33(29,30)20-9-7-6-8-17(20)25-21-16(23)13-24-22(27-21)26-18-12-15(32(4,5)28)10-11-19(18)31-3;1-27(33(5,29)30)19-16(7-6-10-22-19)24-18-14(21)12-23-20(26-18)25-15-9-8-13(32(3,4)28)11-17(15)31-2/h7-10,15-18H,11-14H2,1-6H3,(H2,29,30,31,32);4-7,10-11,16-18H,8-9,12-15H2,1-3H3,(H2,28,29,30,31);6-9,12-14H,10-11,15H2,1-5H3,(H2,27,28,29,30);6-14H,1-5H3,(H2,24,25,26,27);6-12H,1-5H3,(H2,23,24,25,26)
• InChIKey: RYYJCNHIXUBFOB-UHFFFAOYSA-N
• XLogP: 23.01
• TPSA: 535.76 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 41
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2683.02
LogP ≤ 5	23.01
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[4-(4-cyclopropylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[6-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone;N-[3-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]-N-methylmethanesulfonamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(5-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of 5-chloro-2-N-[4-(4-cyclopropylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[6-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone;N-[3-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]-N-methylmethanesulfonamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(5-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 160768100) is 5-chloro-2-N-[4-(4-cyclopropylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[6-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone;N-[3-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]-N-methylmethanesulfonamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(5-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 5-chloro-2-N-[4-(4-cyclopropylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[6-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone;N-[3-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]-N-methylmethanesulfonamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(5-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for 5-chloro-2-N-[4-(4-cyclopropylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[6-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone;N-[3-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]-N-methylmethanesulfonamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(5-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is COc1cc(N2CCN(C3CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(N3CCN(C)CC3)cc2S(=O)(=O)C(C)C)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2cccnc2N(C)S(C)(=O)=O)n1.COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n1)N(C(=O)CN(C)C)CC2.COc1ccc(P(C)(C)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.

What is the InChIKey of 5-chloro-2-N-[4-(4-cyclopropylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[6-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone;N-[3-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]-N-methylmethanesulfonamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(5-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The InChIKey is RYYJCNHIXUBFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36ClN6O4PS.C26H32ClN6O2P.C25H30ClN6O3P.C22H26ClN4O4PS.C20H24ClN6O4PS/c1-18(2)40(36,37)25-15-19(34-13-11-33(3)12-14-34)7-9-23(25)30-26-21(28)17-29-27(32-26)31-22-10-8-20(39(5,6)35)16-24(22)38-4;1-35-23-16-19(33-14-12-32(13-15-33)18-8-9-18)10-11-21(23)30-26-28-17-20(27)25(31-26)29-22-6-4-5-7-24(22)36(2,3)34;1-31(2)15-23(33)32-11-10-16-12-21(35-3)19(13-20(16)32)29-25-27-14-17(26)24(30-25)28-18-8-6-7-9-22(18)36(4,5)34;1-14(2)33(29,30)20-9-7-6-8-17(20)25-21-16(23)13-24-22(27-21)26-18-12-15(32(4,5)28)10-11-19(18)31-3;1-27(33(5,29)30)19-16(7-6-10-22-19)24-18-14(21)12-23-20(26-18)25-15-9-8-13(32(3,4)28)11-17(15)31-2/h7-10,15-18H,11-14H2,1-6H3,(H2,29,30,31,32);4-7,10-11,16-18H,8-9,12-15H2,1-3H3,(H2,28,29,30,31);6-9,12-14H,10-11,15H2,1-5H3,(H2,27,28,29,30);6-14H,1-5H3,(H2,24,25,26,27);6-12H,1-5H3,(H2,23,24,25,26).

What are the key properties of 5-chloro-2-N-[4-(4-cyclopropylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[6-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone;N-[3-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]-N-methylmethanesulfonamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(5-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

5-chloro-2-N-[4-(4-cyclopropylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[6-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone;N-[3-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]-N-methylmethanesulfonamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(5-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 2683.02 g/mol, XLogP of 23.01, 41 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-[4-(4-cyclopropylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[6-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone;N-[3-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]-N-methylmethanesulfonamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(5-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 160768100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).