4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine

C124H139Cl2N31O11S4 — CID 157160095

About 4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine

4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine (PubChem CID 157160095) has the molecular formula C124H139Cl2N31O11S4 and a molecular weight of 2438.86 g/mol. Its IUPAC name is 4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine
• PubChem CID: 157160095
• Molecular Formula: C124H139Cl2N31O11S4
• Molecular Weight: 2438.86 g/mol
• Exact Mass: 2435.95
• IUPAC Name: 4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine
• SMILES: CS(=O)(=O)c1ccc(CCNc2cc(C3=CCNCC3)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(C[C@@H]2C[C@@H]2c2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1ccc(S(=O)(=O)N2CC=C(c3cc(CCCc4ccc(S(C)(=O)=O)cc4)nc(N)n3)CC2)cc1.Cc1cccc(-c2cc(NCCCc3cnccn3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3nccc(C(N)=O)n3)nc(N)n2)c1C.NC(=O)COc1cccc(-c2cc(NCCc3ccc(Cl)cc3)nc(N)n2)c1
• InChI: InChI=1S/C26H30N4O4S2.C21H21ClN4O2S.C20H20ClN5O2.C20H23N7O.C19H22N6.C18H23N5O2S/c1-19-6-10-24(11-7-19)36(33,34)30-16-14-21(15-17-30)25-18-22(28-26(27)29-25)5-3-4-20-8-12-23(13-9-20)35(2,31)32;1-12-17(3-2-4-19(12)22)20-11-15(25-21(23)26-20)9-14-10-18(14)13-5-7-16(8-6-13)29(24,27)28;21-15-6-4-13(5-7-15)8-9-24-19-11-17(25-20(23)26-19)14-2-1-3-16(10-14)28-12-18(22)27;1-12-5-3-6-14(13(12)2)16-11-18(27-20(22)26-16)23-9-4-7-17-24-10-8-15(25-17)19(21)28;1-13-5-3-7-16(14(13)2)17-11-18(25-19(20)24-17)23-8-4-6-15-12-21-9-10-22-15;1-26(24,25)15-4-2-13(3-5-15)6-11-21-17-12-16(22-18(19)23-17)14-7-9-20-10-8-14/h6-14,18H,3-5,15-17H2,1-2H3,(H2,27,28,29);2-8,11,14,18H,9-10H2,1H3,(H2,23,25,26)(H2,24,27,28);1-7,10-11H,8-9,12H2,(H2,22,27)(H3,23,24,25,26);3,5-6,8,10-11H,4,7,9H2,1-2H3,(H2,21,28)(H3,22,23,26,27);3,5,7,9-12H,4,6,8H2,1-2H3,(H3,20,23,24,25);2-5,7,12,20H,6,8-11H2,1H3,(H3,19,21,22,23)/t;14-,18-;;;;/m.1..../s1
• InChIKey: AMGREHODFQELFZ-DRGXYNEHSA-N
• XLogP: 16.95
• TPSA: 683.74 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 38
• Rotatable Bonds: 40
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2438.86
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine?

The IUPAC name of 4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine (CID 157160095) is 4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine is CS(=O)(=O)c1ccc(CCNc2cc(C3=CCNCC3)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(C[C@@H]2C[C@@H]2c2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1ccc(S(=O)(=O)N2CC=C(c3cc(CCCc4ccc(S(C)(=O)=O)cc4)nc(N)n3)CC2)cc1.Cc1cccc(-c2cc(NCCCc3cnccn3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3nccc(C(N)=O)n3)nc(N)n2)c1C.NC(=O)COc1cccc(-c2cc(NCCc3ccc(Cl)cc3)nc(N)n2)c1.

What is the InChIKey of 4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine?

The InChIKey is AMGREHODFQELFZ-DRGXYNEHSA-N. The full InChI is InChI=1S/C26H30N4O4S2.C21H21ClN4O2S.C20H20ClN5O2.C20H23N7O.C19H22N6.C18H23N5O2S/c1-19-6-10-24(11-7-19)36(33,34)30-16-14-21(15-17-30)25-18-22(28-26(27)29-25)5-3-4-20-8-12-23(13-9-20)35(2,31)32;1-12-17(3-2-4-19(12)22)20-11-15(25-21(23)26-20)9-14-10-18(14)13-5-7-16(8-6-13)29(24,27)28;21-15-6-4-13(5-7-15)8-9-24-19-11-17(25-20(23)26-19)14-2-1-3-16(10-14)28-12-18(22)27;1-12-5-3-6-14(13(12)2)16-11-18(27-20(22)26-16)23-9-4-7-17-24-10-8-15(25-17)19(21)28;1-13-5-3-7-16(14(13)2)17-11-18(25-19(20)24-17)23-8-4-6-15-12-21-9-10-22-15;1-26(24,25)15-4-2-13(3-5-15)6-11-21-17-12-16(22-18(19)23-17)14-7-9-20-10-8-14/h6-14,18H,3-5,15-17H2,1-2H3,(H2,27,28,29);2-8,11,14,18H,9-10H2,1H3,(H2,23,25,26)(H2,24,27,28);1-7,10-11H,8-9,12H2,(H2,22,27)(H3,23,24,25,26);3,5-6,8,10-11H,4,7,9H2,1-2H3,(H2,21,28)(H3,22,23,26,27);3,5,7,9-12H,4,6,8H2,1-2H3,(H3,20,23,24,25);2-5,7,12,20H,6,8-11H2,1H3,(H3,19,21,22,23)/t;14-,18-;;;;/m.1..../s1.

What are the key properties of 4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine?

4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 2438.86 g/mol, XLogP of 16.95, 40 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 157160095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).