5-chloro-2-N-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine

C103H139Cl4N29O8P4 — CID 159729786

About 5-chloro-2-N-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine

5-chloro-2-N-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine (PubChem CID 159729786) has the molecular formula C103H139Cl4N29O8P4 and a molecular weight of 2177.15 g/mol. Its IUPAC name is 5-chloro-2-N-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-chloro-2-N-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
• PubChem CID: 159729786
• Molecular Formula: C103H139Cl4N29O8P4
• Molecular Weight: 2177.15 g/mol
• Exact Mass: 2173.91
• IUPAC Name: 5-chloro-2-N-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
• SMILES: CCOc1nc(N(C)CCN(C)C)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.CCOc1nc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.CCOc1nc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.CCOc1nc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
• InChI: InChI=1S/C29H40ClN8O2P.C26H35ClN7O2P.C24H31ClN7O2P.C24H33ClN7O2P/c1-5-40-28-24(10-11-26(34-28)38-14-12-21(13-15-38)37-18-16-36(2)17-19-37)33-29-31-20-22(30)27(35-29)32-23-8-6-7-9-25(23)41(3,4)39;1-6-36-25-21(11-12-23(31-25)34-15-13-18(14-16-34)33(2)3)30-26-28-17-19(27)24(32-26)29-20-9-7-8-10-22(20)37(4,5)35;1-5-34-23-19(10-11-21(29-23)32-14-12-31(2)13-15-32)28-24-26-16-17(25)22(30-24)27-18-8-6-7-9-20(18)35(3,4)33;1-7-34-23-19(12-13-21(29-23)32(4)15-14-31(2)3)28-24-26-16-17(25)22(30-24)27-18-10-8-9-11-20(18)35(5,6)33/h6-11,20-21H,5,12-19H2,1-4H3,(H2,31,32,33,35);7-12,17-18H,6,13-16H2,1-5H3,(H2,28,29,30,32);6-11,16H,5,12-15H2,1-4H3,(H2,26,27,28,30);8-13,16H,7,14-15H2,1-6H3,(H2,26,27,28,30)
• InChIKey: NBCBXCNJNJOKIE-UHFFFAOYSA-N
• XLogP: 19.13
• TPSA: 385.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 37
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2177.15
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine?

The IUPAC name of 5-chloro-2-N-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine (CID 159729786) is 5-chloro-2-N-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 5-chloro-2-N-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine?

The canonical SMILES for 5-chloro-2-N-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine is CCOc1nc(N(C)CCN(C)C)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.CCOc1nc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.CCOc1nc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.CCOc1nc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.

What is the InChIKey of 5-chloro-2-N-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine?

The InChIKey is NBCBXCNJNJOKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40ClN8O2P.C26H35ClN7O2P.C24H31ClN7O2P.C24H33ClN7O2P/c1-5-40-28-24(10-11-26(34-28)38-14-12-21(13-15-38)37-18-16-36(2)17-19-37)33-29-31-20-22(30)27(35-29)32-23-8-6-7-9-25(23)41(3,4)39;1-6-36-25-21(11-12-23(31-25)34-15-13-18(14-16-34)33(2)3)30-26-28-17-19(27)24(32-26)29-20-9-7-8-10-22(20)37(4,5)35;1-5-34-23-19(10-11-21(29-23)32-14-12-31(2)13-15-32)28-24-26-16-17(25)22(30-24)27-18-8-6-7-9-20(18)35(3,4)33;1-7-34-23-19(12-13-21(29-23)32(4)15-14-31(2)3)28-24-26-16-17(25)22(30-24)27-18-10-8-9-11-20(18)35(5,6)33/h6-11,20-21H,5,12-19H2,1-4H3,(H2,31,32,33,35);7-12,17-18H,6,13-16H2,1-5H3,(H2,28,29,30,32);6-11,16H,5,12-15H2,1-4H3,(H2,26,27,28,30);8-13,16H,7,14-15H2,1-6H3,(H2,26,27,28,30).

What are the key properties of 5-chloro-2-N-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine?

5-chloro-2-N-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine has a molecular weight of 2177.15 g/mol, XLogP of 19.13, 37 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-ethoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-ethoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159729786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).