5-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyanilino]propyl]pyrrolidin-2-one;5-chloro-4-N-(2-dimethylphosphoryl-6-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-(4-oxo-1,4λ5-azaphosphinan-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

C98H119Cl4FN22O10P4S — CID 157187556

About 5-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyanilino]propyl]pyrrolidin-2-one;5-chloro-4-N-(2-dimethylphosphoryl-6-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-(4-oxo-1,4λ5-azaphosphinan-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

5-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyanilino]propyl]pyrrolidin-2-one;5-chloro-4-N-(2-dimethylphosphoryl-6-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-(4-oxo-1,4λ5-azaphosphinan-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 157187556) has the molecular formula C98H119Cl4FN22O10P4S and a molecular weight of 2081.95 g/mol. Its IUPAC name is 5-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyanilino]propyl]pyrrolidin-2-one;5-chloro-4-N-(2-dimethylphosphoryl-6-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-(4-oxo-1,4λ5-azaphosphinan-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyanilino]propyl]pyrrolidin-2-one;5-chloro-4-N-(2-dimethylphosphoryl-6-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-(4-oxo-1,4λ5-azaphosphinan-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 157187556
• Molecular Formula: C98H119Cl4FN22O10P4S
• Molecular Weight: 2081.95 g/mol
• Exact Mass: 2078.69
• IUPAC Name: 5-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyanilino]propyl]pyrrolidin-2-one;5-chloro-4-N-(2-dimethylphosphoryl-6-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-(4-oxo-1,4λ5-azaphosphinan-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• SMILES: COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2c(F)cccc2P(C)(C)=O)n1.COc1cc(NCCCN2CCCC2=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(P2(=O)CCNCC2)ccc1Nc1nccc(Nc2ccccc2S(=O)(=O)C(C)C)n1.Cc1cc(Cl)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
• InChI: InChI=1S/C29H38ClFN7O2P.C26H32ClN6O3P.C24H30N5O4PS.C19H19Cl2N4OP/c1-36-14-16-38(17-15-36)20-10-12-37(13-11-20)21-8-9-24(25(18-21)40-2)33-29-32-19-22(30)28(35-29)34-27-23(31)6-5-7-26(27)41(3,4)39;1-36-22-16-18(28-13-7-15-33-14-6-10-24(33)34)11-12-20(22)31-26-29-17-19(27)25(32-26)30-21-8-4-5-9-23(21)37(2,3)35;1-17(2)35(31,32)22-7-5-4-6-20(22)27-23-10-11-26-24(29-23)28-19-9-8-18(16-21(19)33-3)34(30)14-12-25-13-15-34;1-12-10-13(20)8-9-15(12)24-19-22-11-14(21)18(25-19)23-16-6-4-5-7-17(16)27(2,3)26/h5-9,18-20H,10-17H2,1-4H3,(H2,32,33,34,35);4-5,8-9,11-12,16-17,28H,6-7,10,13-15H2,1-3H3,(H2,29,30,31,32);4-11,16-17,25H,12-15H2,1-3H3,(H2,26,27,28,29);4-11H,1-3H3,(H2,22,23,24,25)
• InChIKey: APHJZFYAXAUPOK-UHFFFAOYSA-N
• XLogP: 20.10
• TPSA: 383.56 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2081.95
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyanilino]propyl]pyrrolidin-2-one;5-chloro-4-N-(2-dimethylphosphoryl-6-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-(4-oxo-1,4λ5-azaphosphinan-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of 5-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyanilino]propyl]pyrrolidin-2-one;5-chloro-4-N-(2-dimethylphosphoryl-6-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-(4-oxo-1,4λ5-azaphosphinan-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 157187556) is 5-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyanilino]propyl]pyrrolidin-2-one;5-chloro-4-N-(2-dimethylphosphoryl-6-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-(4-oxo-1,4λ5-azaphosphinan-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 5-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyanilino]propyl]pyrrolidin-2-one;5-chloro-4-N-(2-dimethylphosphoryl-6-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-(4-oxo-1,4λ5-azaphosphinan-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for 5-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyanilino]propyl]pyrrolidin-2-one;5-chloro-4-N-(2-dimethylphosphoryl-6-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-(4-oxo-1,4λ5-azaphosphinan-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2c(F)cccc2P(C)(C)=O)n1.COc1cc(NCCCN2CCCC2=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(P2(=O)CCNCC2)ccc1Nc1nccc(Nc2ccccc2S(=O)(=O)C(C)C)n1.Cc1cc(Cl)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.

What is the InChIKey of 5-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyanilino]propyl]pyrrolidin-2-one;5-chloro-4-N-(2-dimethylphosphoryl-6-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-(4-oxo-1,4λ5-azaphosphinan-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The InChIKey is APHJZFYAXAUPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38ClFN7O2P.C26H32ClN6O3P.C24H30N5O4PS.C19H19Cl2N4OP/c1-36-14-16-38(17-15-36)20-10-12-37(13-11-20)21-8-9-24(25(18-21)40-2)33-29-32-19-22(30)28(35-29)34-27-23(31)6-5-7-26(27)41(3,4)39;1-36-22-16-18(28-13-7-15-33-14-6-10-24(33)34)11-12-20(22)31-26-29-17-19(27)25(32-26)30-21-8-4-5-9-23(21)37(2,3)35;1-17(2)35(31,32)22-7-5-4-6-20(22)27-23-10-11-26-24(29-23)28-19-9-8-18(16-21(19)33-3)34(30)14-12-25-13-15-34;1-12-10-13(20)8-9-15(12)24-19-22-11-14(21)18(25-19)23-16-6-4-5-7-17(16)27(2,3)26/h5-9,18-20H,10-17H2,1-4H3,(H2,32,33,34,35);4-5,8-9,11-12,16-17,28H,6-7,10,13-15H2,1-3H3,(H2,29,30,31,32);4-11,16-17,25H,12-15H2,1-3H3,(H2,26,27,28,29);4-11H,1-3H3,(H2,22,23,24,25).

What are the key properties of 5-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyanilino]propyl]pyrrolidin-2-one;5-chloro-4-N-(2-dimethylphosphoryl-6-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-(4-oxo-1,4λ5-azaphosphinan-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

5-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyanilino]propyl]pyrrolidin-2-one;5-chloro-4-N-(2-dimethylphosphoryl-6-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-(4-oxo-1,4λ5-azaphosphinan-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 2081.95 g/mol, XLogP of 20.10, 32 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyanilino]propyl]pyrrolidin-2-one;5-chloro-4-N-(2-dimethylphosphoryl-6-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-(4-oxo-1,4λ5-azaphosphinan-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 157187556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).