4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;5-chloro-2-N-[2-methoxy-5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide

C73H72Cl3N21O9S2 — CID 161227713

About 4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;5-chloro-2-N-[2-methoxy-5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide

4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;5-chloro-2-N-[2-methoxy-5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide (PubChem CID 161227713) has the molecular formula C73H72Cl3N21O9S2 and a molecular weight of 1558.01 g/mol. Its IUPAC name is 4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;5-chloro-2-N-[2-methoxy-5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;5-chloro-2-N-[2-methoxy-5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
• PubChem CID: 161227713
• Molecular Formula: C73H72Cl3N21O9S2
• Molecular Weight: 1558.01 g/mol
• Exact Mass: 1555.43
• IUPAC Name: 4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;5-chloro-2-N-[2-methoxy-5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
• SMILES: CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4nc[nH]c4C(N)=O)n3)cc2C)cc1.CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4nccs4)n3)cc2C)cc1.COc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1
• InChI: InChI=1S/C26H28ClN7O4S.C24H23ClN8O3.C23H21ClN6O2S/c1-16-12-22(29-26-28-15-21(27)25(31-26)30-24-13-17(2)32-33-24)23(37-3)14-20(16)18-4-6-19(7-5-18)39(35,36)34-8-10-38-11-9-34;1-12-8-17(18(36-3)9-15(12)13-4-6-14(7-5-13)23(35)27-2)31-24-28-10-16(25)21(33-24)32-22-19(20(26)34)29-11-30-22;1-13-10-18(28-22-27-12-17(24)20(29-22)30-23-26-8-9-33-23)19(32-3)11-16(13)14-4-6-15(7-5-14)21(31)25-2/h4-7,12-15H,8-11H2,1-3H3,(H3,28,29,30,31,32,33);4-11H,1-3H3,(H2,26,34)(H,27,35)(H,29,30)(H2,28,31,32,33);4-12H,1-3H3,(H,25,31)(H2,26,27,28,29,30)
• InChIKey: UYIOBGMCBUFMIL-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 395.36 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1558.01
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;5-chloro-2-N-[2-methoxy-5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide?

The IUPAC name of 4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;5-chloro-2-N-[2-methoxy-5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide (CID 161227713) is 4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;5-chloro-2-N-[2-methoxy-5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide.

What is the SMILES notation for 4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;5-chloro-2-N-[2-methoxy-5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide?

The canonical SMILES for 4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;5-chloro-2-N-[2-methoxy-5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4nc[nH]c4C(N)=O)n3)cc2C)cc1.CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4nccs4)n3)cc2C)cc1.COc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1.

What is the InChIKey of 4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;5-chloro-2-N-[2-methoxy-5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide?

The InChIKey is UYIOBGMCBUFMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7O4S.C24H23ClN8O3.C23H21ClN6O2S/c1-16-12-22(29-26-28-15-21(27)25(31-26)30-24-13-17(2)32-33-24)23(37-3)14-20(16)18-4-6-19(7-5-18)39(35,36)34-8-10-38-11-9-34;1-12-8-17(18(36-3)9-15(12)13-4-6-14(7-5-13)23(35)27-2)31-24-28-10-16(25)21(33-24)32-22-19(20(26)34)29-11-30-22;1-13-10-18(28-22-27-12-17(24)20(29-22)30-23-26-8-9-33-23)19(32-3)11-16(13)14-4-6-15(7-5-14)21(31)25-2/h4-7,12-15H,8-11H2,1-3H3,(H3,28,29,30,31,32,33);4-11H,1-3H3,(H2,26,34)(H,27,35)(H,29,30)(H2,28,31,32,33);4-12H,1-3H3,(H,25,31)(H2,26,27,28,29,30).

What are the key properties of 4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;5-chloro-2-N-[2-methoxy-5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide?

4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;5-chloro-2-N-[2-methoxy-5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide has a molecular weight of 1558.01 g/mol, XLogP of 13.85, 23 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;5-chloro-2-N-[2-methoxy-5-methyl-4-(4-morpholin-4-ylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide is sourced from PubChem (CID 161227713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).