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-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-propanoylphenyl)anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;1-[4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]methyl]-5-methoxy-2-methylphenyl]phenyl]propan-1-one

C76H75Cl3N18O9S2 — CID 162243264

About 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-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-propanoylphenyl)anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;1-[4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]methyl]-5-methoxy-2-methylphenyl]phenyl]propan-1-one

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-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-propanoylphenyl)anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;1-[4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]methyl]-5-methoxy-2-methylphenyl]phenyl]propan-1-one (PubChem CID 162243264) has the molecular formula C76H75Cl3N18O9S2 and a molecular weight of 1555.05 g/mol. Its IUPAC name is 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-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-propanoylphenyl)anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;1-[4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]methyl]-5-methoxy-2-methylphenyl]phenyl]propan-1-one.

Molecular Properties

• Compound Name: 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-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-propanoylphenyl)anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;1-[4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]methyl]-5-methoxy-2-methylphenyl]phenyl]propan-1-one
• PubChem CID: 162243264
• Molecular Formula: C76H75Cl3N18O9S2
• Molecular Weight: 1555.05 g/mol
• Exact Mass: 1552.45
• IUPAC Name: 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-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-propanoylphenyl)anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;1-[4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]methyl]-5-methoxy-2-methylphenyl]phenyl]propan-1-one
• SMILES: CCC(=O)c1ccc(-c2cc(OC)c(Cc3ncc(Cl)c(Nc4nccs4)n3)cc2C)cc1.CCC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4nc[nH]c4C(N)=O)n3)cc2C)cc1.COc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1
• InChI: InChI=1S/C26H28ClN7O4S.C25H24ClN7O3.C25H23ClN4O2S/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;1-4-19(34)15-7-5-14(6-8-15)16-10-20(36-3)18(9-13(16)2)31-25-28-11-17(26)23(33-25)32-24-21(22(27)35)29-12-30-24;1-4-21(31)17-7-5-16(6-8-17)19-13-22(32-3)18(11-15(19)2)12-23-28-14-20(26)24(29-23)30-25-27-9-10-33-25/h4-7,12-15H,8-11H2,1-3H3,(H3,28,29,30,31,32,33);5-12H,4H2,1-3H3,(H2,27,35)(H,29,30)(H2,28,31,32,33);5-11,13-14H,4,12H2,1-3H3,(H,27,28,29,30)
• InChIKey: ZWZIREBNAXZMRS-UHFFFAOYSA-N
• XLogP: 16.17
• TPSA: 359.27 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1555.05
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 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-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-propanoylphenyl)anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;1-[4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]methyl]-5-methoxy-2-methylphenyl]phenyl]propan-1-one?

The IUPAC name of 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-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-propanoylphenyl)anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;1-[4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]methyl]-5-methoxy-2-methylphenyl]phenyl]propan-1-one (CID 162243264) is 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-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-propanoylphenyl)anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;1-[4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]methyl]-5-methoxy-2-methylphenyl]phenyl]propan-1-one.

What is the SMILES notation for 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-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-propanoylphenyl)anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;1-[4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]methyl]-5-methoxy-2-methylphenyl]phenyl]propan-1-one?

The canonical SMILES for 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-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-propanoylphenyl)anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;1-[4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]methyl]-5-methoxy-2-methylphenyl]phenyl]propan-1-one is CCC(=O)c1ccc(-c2cc(OC)c(Cc3ncc(Cl)c(Nc4nccs4)n3)cc2C)cc1.CCC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4nc[nH]c4C(N)=O)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 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-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-propanoylphenyl)anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;1-[4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]methyl]-5-methoxy-2-methylphenyl]phenyl]propan-1-one?

The InChIKey is ZWZIREBNAXZMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7O4S.C25H24ClN7O3.C25H23ClN4O2S/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;1-4-19(34)15-7-5-14(6-8-15)16-10-20(36-3)18(9-13(16)2)31-25-28-11-17(26)23(33-25)32-24-21(22(27)35)29-12-30-24;1-4-21(31)17-7-5-16(6-8-17)19-13-22(32-3)18(11-15(19)2)12-23-28-14-20(26)24(29-23)30-25-27-9-10-33-25/h4-7,12-15H,8-11H2,1-3H3,(H3,28,29,30,31,32,33);5-12H,4H2,1-3H3,(H2,27,35)(H,29,30)(H2,28,31,32,33);5-11,13-14H,4,12H2,1-3H3,(H,27,28,29,30).

What are the key properties of 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-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-propanoylphenyl)anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;1-[4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]methyl]-5-methoxy-2-methylphenyl]phenyl]propan-1-one?

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-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-propanoylphenyl)anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;1-[4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]methyl]-5-methoxy-2-methylphenyl]phenyl]propan-1-one has a molecular weight of 1555.05 g/mol, XLogP of 16.17, 25 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[[5-chloro-2-[2-methoxy-5-methyl-4-(4-propanoylphenyl)anilino]pyrimidin-4-yl]amino]-1H-imidazole-5-carboxamide;1-[4-[4-[[5-chloro-4-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]methyl]-5-methoxy-2-methylphenyl]phenyl]propan-1-one is sourced from PubChem (CID 162243264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).