5-chloro-2-N-(5-chloro-4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanol;methane

C106H138Cl5N23O16P4S3 — CID 157090236

About 5-chloro-2-N-(5-chloro-4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanol;methane

5-chloro-2-N-(5-chloro-4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanol;methane (PubChem CID 157090236) has the molecular formula C106H138Cl5N23O16P4S3 and a molecular weight of 2387.78 g/mol. Its IUPAC name is 5-chloro-2-N-(5-chloro-4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanol;methane.

Molecular Properties

• Compound Name: 5-chloro-2-N-(5-chloro-4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanol;methane
• PubChem CID: 157090236
• Molecular Formula: C106H138Cl5N23O16P4S3
• Molecular Weight: 2387.78 g/mol
• Exact Mass: 2383.72
• IUPAC Name: 5-chloro-2-N-(5-chloro-4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanol;methane
• SMILES: C.COc1cc(N2CCC(N3CCN(C(N)=O)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(P(C)(C)=O)c(Cl)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(CN3CCN(C)CC3)cc2S(=O)(=O)C(C)C)n1.COc1cc(P2(=O)CCN(CCO)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
• InChI: InChI=1S/C29H38ClN8O3P.C28H38ClN6O4PS.C26H33ClN5O5PS.C22H25Cl2N4O4PS.CH4/c1-41-25-18-21(36-12-10-20(11-13-36)37-14-16-38(17-15-37)28(31)39)8-9-23(25)34-29-32-19-22(30)27(35-29)33-24-6-4-5-7-26(24)42(2,3)40;1-19(2)41(37,38)26-15-20(18-35-13-11-34(3)12-14-35)7-9-24(26)31-27-22(29)17-30-28(33-27)32-23-10-8-21(40(5,6)36)16-25(23)39-4;1-18(2)39(35,36)24-7-5-4-6-22(24)29-25-20(27)17-28-26(31-25)30-21-9-8-19(16-23(21)37-3)38(34)14-11-32(10-13-33)12-15-38;1-13(2)34(30,31)20-9-7-6-8-16(20)26-21-15(24)12-25-22(28-21)27-17-10-14(23)19(33(4,5)29)11-18(17)32-3;/h4-9,18-20H,10-17H2,1-3H3,(H2,31,39)(H2,32,33,34,35);7-10,15-17,19H,11-14,18H2,1-6H3,(H2,30,31,32,33);4-9,16-18,33H,10-15H2,1-3H3,(H2,28,29,30,31);6-13H,1-5H3,(H2,25,26,27,28);1H4
• InChIKey: AEORGIVIFCDCTE-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 489.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 36
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2387.78
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	10
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-(5-chloro-4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanol;methane?

The IUPAC name of 5-chloro-2-N-(5-chloro-4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanol;methane (CID 157090236) is 5-chloro-2-N-(5-chloro-4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanol;methane.

What is the SMILES notation for 5-chloro-2-N-(5-chloro-4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanol;methane?

The canonical SMILES for 5-chloro-2-N-(5-chloro-4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanol;methane is C.COc1cc(N2CCC(N3CCN(C(N)=O)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(P(C)(C)=O)c(Cl)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(CN3CCN(C)CC3)cc2S(=O)(=O)C(C)C)n1.COc1cc(P2(=O)CCN(CCO)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.

What is the InChIKey of 5-chloro-2-N-(5-chloro-4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanol;methane?

The InChIKey is AEORGIVIFCDCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38ClN8O3P.C28H38ClN6O4PS.C26H33ClN5O5PS.C22H25Cl2N4O4PS.CH4/c1-41-25-18-21(36-12-10-20(11-13-36)37-14-16-38(17-15-37)28(31)39)8-9-23(25)34-29-32-19-22(30)27(35-29)33-24-6-4-5-7-26(24)42(2,3)40;1-19(2)41(37,38)26-15-20(18-35-13-11-34(3)12-14-35)7-9-24(26)31-27-22(29)17-30-28(33-27)32-23-10-8-21(40(5,6)36)16-25(23)39-4;1-18(2)39(35,36)24-7-5-4-6-22(24)29-25-20(27)17-28-26(31-25)30-21-9-8-19(16-23(21)37-3)38(34)14-11-32(10-13-33)12-15-38;1-13(2)34(30,31)20-9-7-6-8-16(20)26-21-15(24)12-25-22(28-21)27-17-10-14(23)19(33(4,5)29)11-18(17)32-3;/h4-9,18-20H,10-17H2,1-3H3,(H2,31,39)(H2,32,33,34,35);7-10,15-17,19H,11-14,18H2,1-6H3,(H2,30,31,32,33);4-9,16-18,33H,10-15H2,1-3H3,(H2,28,29,30,31);6-13H,1-5H3,(H2,25,26,27,28);1H4.

What are the key properties of 5-chloro-2-N-(5-chloro-4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanol;methane?

5-chloro-2-N-(5-chloro-4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanol;methane has a molecular weight of 2387.78 g/mol, XLogP of 19.79, 36 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-(5-chloro-4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazine-1-carboxamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-4-oxo-1,4λ5-azaphosphinan-1-yl]ethanol;methane is sourced from PubChem (CID 157090236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).