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;4-N-[3-(6-chloropyrimidin-4-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;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

C122H139Cl2N33O9S3 — CID 158833252

About 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;4-N-[3-(6-chloropyrimidin-4-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;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

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;4-N-[3-(6-chloropyrimidin-4-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;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 158833252) has the molecular formula C122H139Cl2N33O9S3 and a molecular weight of 2378.78 g/mol. Its IUPAC name is 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;4-N-[3-(6-chloropyrimidin-4-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;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: 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;4-N-[3-(6-chloropyrimidin-4-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;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: 158833252
• Molecular Formula: C122H139Cl2N33O9S3
• Molecular Weight: 2378.78 g/mol
• Exact Mass: 2376.00
• IUPAC Name: 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;4-N-[3-(6-chloropyrimidin-4-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;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.Cc1ccc(S(=O)(=O)N2CC=C(c3cc(CCCc4ccc(S(C)(=O)=O)cc4)nc(N)n3)CC2)cc1.Cc1cccc(-c2cc(NCCCc3cc(Cl)ncn3)nc(N)n2)c1C.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.C20H20ClN5O2.C20H23N7O.C19H21ClN6.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;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;1-12-5-3-7-15(13(12)2)16-10-18(26-19(21)25-16)22-8-4-6-14-9-17(20)24-11-23-14;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);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);3,5,7,9-11H,4,6,8H2,1-2H3,(H3,21,22,25,26);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)
• InChIKey: IXHSNAJBCXMWHD-UHFFFAOYSA-N
• XLogP: 17.10
• TPSA: 661.39 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 39
• Rotatable Bonds: 41
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2378.78
LogP ≤ 5	17.10
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;4-N-[3-(6-chloropyrimidin-4-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;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 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;4-N-[3-(6-chloropyrimidin-4-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;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 158833252) is 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;4-N-[3-(6-chloropyrimidin-4-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;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 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;4-N-[3-(6-chloropyrimidin-4-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;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 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;4-N-[3-(6-chloropyrimidin-4-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;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.Cc1ccc(S(=O)(=O)N2CC=C(c3cc(CCCc4ccc(S(C)(=O)=O)cc4)nc(N)n3)CC2)cc1.Cc1cccc(-c2cc(NCCCc3cc(Cl)ncn3)nc(N)n2)c1C.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 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;4-N-[3-(6-chloropyrimidin-4-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;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 IXHSNAJBCXMWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S2.C20H20ClN5O2.C20H23N7O.C19H21ClN6.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;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;1-12-5-3-7-15(13(12)2)16-10-18(26-19(21)25-16)22-8-4-6-14-9-17(20)24-11-23-14;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);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);3,5,7,9-11H,4,6,8H2,1-2H3,(H3,21,22,25,26);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).

What are the key properties of 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;4-N-[3-(6-chloropyrimidin-4-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;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?

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;4-N-[3-(6-chloropyrimidin-4-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;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 2378.78 g/mol, XLogP of 17.10, 41 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 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;4-N-[3-(6-chloropyrimidin-4-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;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 158833252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).