5-chloro-2-N-(4-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4λ5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4λ5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine

C115H146Cl3N23O14P4S2 — CID 158277010

About 5-chloro-2-N-(4-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4λ5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4λ5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine

5-chloro-2-N-(4-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4λ5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4λ5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 158277010) has the molecular formula C115H146Cl3N23O14P4S2 and a molecular weight of 2368.97 g/mol. Its IUPAC name is 5-chloro-2-N-(4-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4λ5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4λ5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-chloro-2-N-(4-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4λ5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4λ5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine
• PubChem CID: 158277010
• Molecular Formula: C115H146Cl3N23O14P4S2
• Molecular Weight: 2368.97 g/mol
• Exact Mass: 2365.89
• IUPAC Name: 5-chloro-2-N-(4-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4λ5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4λ5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine
• SMILES: CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(P(C)(C)=O)c3c2OCC3)ncc1Cl.CCN1CCP(=O)(c2ccc(Nc3nc(Nc4ccc(N5CCC(N6CCN(C)CC6)CC5)cc4OC)ncc3Cl)c(OC)c2)CC1.CNC(=O)N1CCP(=O)(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2)CC1.COc1cc(N2CCC(N3CCCC3)CC2)ccc1Cc1nc2c(c(Nc3ccccc3P(C)(C)=O)n1)C=CC2
• InChI: InChI=1S/C34H48ClN8O3P.C32H40N5O2P.C26H32ClN6O5PS.C23H26ClN4O4PS/c1-5-41-18-20-47(44,21-19-41)27-7-9-29(32(23-27)46-4)37-33-28(35)24-36-34(39-33)38-30-8-6-26(22-31(30)45-3)42-12-10-25(11-13-42)43-16-14-40(2)15-17-43;1-39-29-22-25(37-19-15-24(16-20-37)36-17-6-7-18-36)14-13-23(29)21-31-33-27-11-8-9-26(27)32(35-31)34-28-10-4-5-12-30(28)40(2,3)38;1-17(2)40(36,37)23-8-6-5-7-21(23)30-24-19(27)16-29-25(32-24)31-20-10-9-18(15-22(20)38-4)39(35)13-11-33(12-14-39)26(34)28-3;1-14(2)34(30,31)20-8-6-5-7-17(20)26-22-16(24)13-25-23(28-22)27-18-9-10-19(33(3,4)29)15-11-12-32-21(15)18/h6-9,22-25H,5,10-21H2,1-4H3,(H2,36,37,38,39);4-5,8-10,12-14,22,24H,6-7,11,15-21H2,1-3H3,(H,33,34,35);5-10,15-17H,11-14H2,1-4H3,(H,28,34)(H2,29,30,31,32);5-10,13-14H,11-12H2,1-4H3,(H2,25,26,27,28)
• InChIKey: GJSPJQYQRXVZOM-UHFFFAOYSA-N
• XLogP: 20.31
• TPSA: 421.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 33
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2368.97
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

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-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4λ5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4λ5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine?

The IUPAC name of 5-chloro-2-N-(4-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4λ5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4λ5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine (CID 158277010) is 5-chloro-2-N-(4-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4λ5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4λ5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine.

What is the SMILES notation for 5-chloro-2-N-(4-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4λ5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4λ5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine?

The canonical SMILES for 5-chloro-2-N-(4-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4λ5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4λ5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine is CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(P(C)(C)=O)c3c2OCC3)ncc1Cl.CCN1CCP(=O)(c2ccc(Nc3nc(Nc4ccc(N5CCC(N6CCN(C)CC6)CC5)cc4OC)ncc3Cl)c(OC)c2)CC1.CNC(=O)N1CCP(=O)(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2)CC1.COc1cc(N2CCC(N3CCCC3)CC2)ccc1Cc1nc2c(c(Nc3ccccc3P(C)(C)=O)n1)C=CC2.

What is the InChIKey of 5-chloro-2-N-(4-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4λ5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4λ5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine?

The InChIKey is GJSPJQYQRXVZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48ClN8O3P.C32H40N5O2P.C26H32ClN6O5PS.C23H26ClN4O4PS/c1-5-41-18-20-47(44,21-19-41)27-7-9-29(32(23-27)46-4)37-33-28(35)24-36-34(39-33)38-30-8-6-26(22-31(30)45-3)42-12-10-25(11-13-42)43-16-14-40(2)15-17-43;1-39-29-22-25(37-19-15-24(16-20-37)36-17-6-7-18-36)14-13-23(29)21-31-33-27-11-8-9-26(27)32(35-31)34-28-10-4-5-12-30(28)40(2,3)38;1-17(2)40(36,37)23-8-6-5-7-21(23)30-24-19(27)16-29-25(32-24)31-20-10-9-18(15-22(20)38-4)39(35)13-11-33(12-14-39)26(34)28-3;1-14(2)34(30,31)20-8-6-5-7-17(20)26-22-16(24)13-25-23(28-22)27-18-9-10-19(33(3,4)29)15-11-12-32-21(15)18/h6-9,22-25H,5,10-21H2,1-4H3,(H2,36,37,38,39);4-5,8-10,12-14,22,24H,6-7,11,15-21H2,1-3H3,(H,33,34,35);5-10,15-17H,11-14H2,1-4H3,(H,28,34)(H2,29,30,31,32);5-10,13-14H,11-12H2,1-4H3,(H2,25,26,27,28).

What are the key properties of 5-chloro-2-N-(4-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4λ5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4λ5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine?

5-chloro-2-N-(4-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4λ5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4λ5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 2368.97 g/mol, XLogP of 20.31, 33 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-(4-dimethylphosphoryl-2,3-dihydro-1-benzofuran-7-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-4-N-[4-(1-ethyl-4-oxo-1,4λ5-azaphosphinan-4-yl)-2-methoxyphenyl]-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methyl-4-oxo-1,4λ5-azaphosphinane-1-carboxamide;N-(2-dimethylphosphorylphenyl)-2-[[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 158277010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).