2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine

C110H118BrCl6F4N27O4S5 — CID 158532877

About 2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine

2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 158532877) has the molecular formula C110H118BrCl6F4N27O4S5 and a molecular weight of 2411.29 g/mol. Its IUPAC name is 2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine
• PubChem CID: 158532877
• Molecular Formula: C110H118BrCl6F4N27O4S5
• Molecular Weight: 2411.29 g/mol
• Exact Mass: 2405.57
• IUPAC Name: 2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine
• SMILES: Cc1c(Cl)cccc1-c1cc(CCCSCc2ccc(CN(C)C)o2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCC=C(F)F)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCC(F)(F)Br)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCSCCc2ccccc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCSCc2ccc(S(C)(=O)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCSc2nccc(C(N)=O)n2)nc(N)n1
• InChI: InChI=1S/C22H27ClN4OS.C21H23ClN4O2S2.C21H23ClN4S.C18H18ClN7OS.C14H14BrClF2N4.C14H13ClF2N4/c1-15-19(7-4-8-20(15)23)21-12-16(25-22(24)26-21)6-5-11-29-14-18-10-9-17(28-18)13-27(2)3;1-14-17(4-3-5-18(14)22)19-12-20(26-21(23)25-19)24-10-11-29-13-15-6-8-16(9-7-15)30(2,27)28;1-15-17(8-5-9-18(15)22)19-14-20(26-21(23)25-19)24-11-13-27-12-10-16-6-3-2-4-7-16;1-10-11(3-2-4-12(10)19)14-9-15(26-17(21)24-14)22-7-8-28-18-23-6-5-13(25-18)16(20)27;1-8-9(3-2-4-10(8)16)11-7-12(22-13(19)21-11)20-6-5-14(15,17)18;1-8-9(3-2-4-10(8)15)11-7-13(21-14(18)20-11)19-6-5-12(16)17/h4,7-10,12H,5-6,11,13-14H2,1-3H3,(H2,24,25,26);3-9,12H,10-11,13H2,1-2H3,(H3,23,24,25,26);2-9,14H,10-13H2,1H3,(H3,23,24,25,26);2-6,9H,7-8H2,1H3,(H2,20,27)(H3,21,22,24,26);2-4,7H,5-6H2,1H3,(H3,19,20,21,22);2-5,7H,6H2,1H3,(H3,18,19,20,21)
• InChIKey: HNOXHWQRXIBEJS-UHFFFAOYSA-N
• XLogP: 25.86
• TPSA: 490.34 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 41
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2411.29
LogP ≤ 5	25.86
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine?

The IUPAC name of 2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine (CID 158532877) is 2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine?

The canonical SMILES for 2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine is Cc1c(Cl)cccc1-c1cc(CCCSCc2ccc(CN(C)C)o2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCC=C(F)F)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCC(F)(F)Br)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCSCCc2ccccc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCSCc2ccc(S(C)(=O)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCSc2nccc(C(N)=O)n2)nc(N)n1.

What is the InChIKey of 2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine?

The InChIKey is HNOXHWQRXIBEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4OS.C21H23ClN4O2S2.C21H23ClN4S.C18H18ClN7OS.C14H14BrClF2N4.C14H13ClF2N4/c1-15-19(7-4-8-20(15)23)21-12-16(25-22(24)26-21)6-5-11-29-14-18-10-9-17(28-18)13-27(2)3;1-14-17(4-3-5-18(14)22)19-12-20(26-21(23)25-19)24-10-11-29-13-15-6-8-16(9-7-15)30(2,27)28;1-15-17(8-5-9-18(15)22)19-14-20(26-21(23)25-19)24-11-13-27-12-10-16-6-3-2-4-7-16;1-10-11(3-2-4-12(10)19)14-9-15(26-17(21)24-14)22-7-8-28-18-23-6-5-13(25-18)16(20)27;1-8-9(3-2-4-10(8)16)11-7-12(22-13(19)21-11)20-6-5-14(15,17)18;1-8-9(3-2-4-10(8)15)11-7-13(21-14(18)20-11)19-6-5-12(16)17/h4,7-10,12H,5-6,11,13-14H2,1-3H3,(H2,24,25,26);3-9,12H,10-11,13H2,1-2H3,(H3,23,24,25,26);2-9,14H,10-13H2,1H3,(H3,23,24,25,26);2-6,9H,7-8H2,1H3,(H2,20,27)(H3,21,22,24,26);2-4,7H,5-6H2,1H3,(H3,19,20,21,22);2-5,7H,6H2,1H3,(H3,18,19,20,21).

What are the key properties of 2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine?

2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 2411.29 g/mol, XLogP of 25.86, 41 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158532877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).