2-chloro-N-[(Z)-4-iminobut-2-enimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-oxazol-2-yl)benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-phenylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-3-ylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide;2-N-[2-fluoro-4-methoxy-3-(1H-pyrrolo[3,2-c]pyridin-6-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

C106H102Cl5FN36O7S — CID 161347704

About 2-chloro-N-[(Z)-4-iminobut-2-enimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-oxazol-2-yl)benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-phenylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-3-ylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide;2-N-[2-fluoro-4-methoxy-3-(1H-pyrrolo[3,2-c]pyridin-6-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

2-chloro-N-[(Z)-4-iminobut-2-enimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-oxazol-2-yl)benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-phenylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-3-ylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide;2-N-[2-fluoro-4-methoxy-3-(1H-pyrrolo[3,2-c]pyridin-6-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 161347704) has the molecular formula C106H102Cl5FN36O7S and a molecular weight of 2220.56 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-4-iminobut-2-enimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-oxazol-2-yl)benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-phenylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-3-ylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide;2-N-[2-fluoro-4-methoxy-3-(1H-pyrrolo[3,2-c]pyridin-6-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-chloro-N-[(Z)-4-iminobut-2-enimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-oxazol-2-yl)benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-phenylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-3-ylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide;2-N-[2-fluoro-4-methoxy-3-(1H-pyrrolo[3,2-c]pyridin-6-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
• PubChem CID: 161347704
• Molecular Formula: C106H102Cl5FN36O7S
• Molecular Weight: 2220.56 g/mol
• Exact Mass: 2216.69
• IUPAC Name: 2-chloro-N-[(Z)-4-iminobut-2-enimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-oxazol-2-yl)benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-phenylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-3-ylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide;2-N-[2-fluoro-4-methoxy-3-(1H-pyrrolo[3,2-c]pyridin-6-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
• SMILES: CNc1cc(C)nc(Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)n1.CNc1cc(C)nc(Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)n1.CNc1cc(C)nc(Nc2ccc(Cl)c(C(=O)Nc3ncco3)c2)n1.CNc1cc(C)nc(Nc2ccc(Cl)c(C(=O)Nc3nccs3)c2)n1.CNc1cc(C)nc(Nc2ccc(OC)c(-c3cc4[nH]ccc4cn3)c2F)n1.[H]/N=C/C=C\C(=N/[H])NC(=O)c1cc(Nc2nc(C)cc(NC)n2)ccc1Cl
• InChI: InChI=1S/C20H19FN6O.C19H18ClN5O.C18H17ClN6O.C17H18ClN7O.C16H15ClN6O2.C16H15ClN6OS/c1-11-8-17(22-2)27-20(25-11)26-13-4-5-16(28-3)18(19(13)21)15-9-14-12(10-24-15)6-7-23-14;1-12-10-17(21-2)25-19(22-12)24-14-8-9-16(20)15(11-14)18(26)23-13-6-4-3-5-7-13;1-11-8-16(20-2)25-18(22-11)24-12-5-6-15(19)14(9-12)17(26)23-13-4-3-7-21-10-13;1-10-8-15(21-2)25-17(22-10)23-11-5-6-13(18)12(9-11)16(26)24-14(20)4-3-7-19;2*1-9-7-13(18-2)22-15(20-9)21-10-3-4-12(17)11(8-10)14(24)23-16-19-5-6-25-16/h4-10,23H,1-3H3,(H2,22,25,26,27);3-11H,1-2H3,(H,23,26)(H2,21,22,24,25);3-10H,1-2H3,(H,23,26)(H2,20,22,24,25);3-9,19H,1-2H3,(H2,20,24,26)(H2,21,22,23,25);2*3-8H,1-2H3,(H,19,23,24)(H2,18,20,21,22)/b;;;4-3-,19-7+
• InChIKey: VNNHMMMBIFVQBD-MMFXNUTJSA-N
• XLogP: 23.14
• TPSA: 581.96 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2220.56
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-4-iminobut-2-enimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-oxazol-2-yl)benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-phenylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-3-ylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide;2-N-[2-fluoro-4-methoxy-3-(1H-pyrrolo[3,2-c]pyridin-6-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?

The IUPAC name of 2-chloro-N-[(Z)-4-iminobut-2-enimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-oxazol-2-yl)benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-phenylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-3-ylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide;2-N-[2-fluoro-4-methoxy-3-(1H-pyrrolo[3,2-c]pyridin-6-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 161347704) is 2-chloro-N-[(Z)-4-iminobut-2-enimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-oxazol-2-yl)benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-phenylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-3-ylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide;2-N-[2-fluoro-4-methoxy-3-(1H-pyrrolo[3,2-c]pyridin-6-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

What is the SMILES notation for 2-chloro-N-[(Z)-4-iminobut-2-enimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-oxazol-2-yl)benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-phenylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-3-ylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide;2-N-[2-fluoro-4-methoxy-3-(1H-pyrrolo[3,2-c]pyridin-6-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?

The canonical SMILES for 2-chloro-N-[(Z)-4-iminobut-2-enimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-oxazol-2-yl)benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-phenylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-3-ylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide;2-N-[2-fluoro-4-methoxy-3-(1H-pyrrolo[3,2-c]pyridin-6-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is CNc1cc(C)nc(Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)n1.CNc1cc(C)nc(Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)n1.CNc1cc(C)nc(Nc2ccc(Cl)c(C(=O)Nc3ncco3)c2)n1.CNc1cc(C)nc(Nc2ccc(Cl)c(C(=O)Nc3nccs3)c2)n1.CNc1cc(C)nc(Nc2ccc(OC)c(-c3cc4[nH]ccc4cn3)c2F)n1.[H]/N=C/C=C\C(=N/[H])NC(=O)c1cc(Nc2nc(C)cc(NC)n2)ccc1Cl.

What is the InChIKey of 2-chloro-N-[(Z)-4-iminobut-2-enimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-oxazol-2-yl)benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-phenylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-3-ylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide;2-N-[2-fluoro-4-methoxy-3-(1H-pyrrolo[3,2-c]pyridin-6-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?

The InChIKey is VNNHMMMBIFVQBD-MMFXNUTJSA-N. The full InChI is InChI=1S/C20H19FN6O.C19H18ClN5O.C18H17ClN6O.C17H18ClN7O.C16H15ClN6O2.C16H15ClN6OS/c1-11-8-17(22-2)27-20(25-11)26-13-4-5-16(28-3)18(19(13)21)15-9-14-12(10-24-15)6-7-23-14;1-12-10-17(21-2)25-19(22-12)24-14-8-9-16(20)15(11-14)18(26)23-13-6-4-3-5-7-13;1-11-8-16(20-2)25-18(22-11)24-12-5-6-15(19)14(9-12)17(26)23-13-4-3-7-21-10-13;1-10-8-15(21-2)25-17(22-10)23-11-5-6-13(18)12(9-11)16(26)24-14(20)4-3-7-19;2*1-9-7-13(18-2)22-15(20-9)21-10-3-4-12(17)11(8-10)14(24)23-16-19-5-6-25-16/h4-10,23H,1-3H3,(H2,22,25,26,27);3-11H,1-2H3,(H,23,26)(H2,21,22,24,25);3-10H,1-2H3,(H,23,26)(H2,20,22,24,25);3-9,19H,1-2H3,(H2,20,24,26)(H2,21,22,23,25);2*3-8H,1-2H3,(H,19,23,24)(H2,18,20,21,22)/b;;;4-3-,19-7+;;.

What are the key properties of 2-chloro-N-[(Z)-4-iminobut-2-enimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-oxazol-2-yl)benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-phenylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-3-ylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide;2-N-[2-fluoro-4-methoxy-3-(1H-pyrrolo[3,2-c]pyridin-6-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?

2-chloro-N-[(Z)-4-iminobut-2-enimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-oxazol-2-yl)benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-phenylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-3-ylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide;2-N-[2-fluoro-4-methoxy-3-(1H-pyrrolo[3,2-c]pyridin-6-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 2220.56 g/mol, XLogP of 23.14, 31 rotatable bonds, 20 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(Z)-4-iminobut-2-enimidoyl]-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-oxazol-2-yl)benzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-phenylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-pyridin-3-ylbenzamide;2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide;2-N-[2-fluoro-4-methoxy-3-(1H-pyrrolo[3,2-c]pyridin-6-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 161347704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).