4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine

C112H117Cl5N22O10S3 — CID 158241815

About 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine

4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 158241815) has the molecular formula C112H117Cl5N22O10S3 and a molecular weight of 2204.78 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine
• PubChem CID: 158241815
• Molecular Formula: C112H117Cl5N22O10S3
• Molecular Weight: 2204.78 g/mol
• Exact Mass: 2200.69
• IUPAC Name: 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine
• SMILES: C#CCN(C)C(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.C#Cc1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)NC3CCOCC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)NC3COC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCOc2ccc(S(N)(=O)=O)cc2)nc(N)n1
• InChI: InChI=1S/C25H29ClN4O3S.C24H24ClN5O.C23H25ClN4O3S.C21H19ClN4.C19H20ClN5O3S/c1-17-22(6-3-7-23(17)26)24-16-20(28-25(27)29-24)5-2-4-18-8-10-21(11-9-18)34(31,32)30-19-12-14-33-15-13-19;1-4-14-30(3)23(31)18-10-8-17(9-11-18)12-13-27-22-15-21(28-24(26)29-22)19-6-5-7-20(25)16(19)2;1-15-20(6-3-7-21(15)24)22-12-17(26-23(25)27-22)5-2-4-16-8-10-19(11-9-16)32(29,30)28-18-13-31-14-18;1-3-15-7-9-16(10-8-15)11-12-24-20-13-19(25-21(23)26-20)17-5-4-6-18(22)14(17)2;1-12-15(3-2-4-16(12)20)17-11-18(25-19(21)24-17)23-9-10-28-13-5-7-14(8-6-13)29(22,26)27/h3,6-11,16,19,30H,2,4-5,12-15H2,1H3,(H2,27,28,29);1,5-11,15H,12-14H2,2-3H3,(H3,26,27,28,29);3,6-12,18,28H,2,4-5,13-14H2,1H3,(H2,25,26,27);1,4-10,13H,11-12H2,2H3,(H3,23,24,25,26);2-8,11H,9-10H2,1H3,(H2,22,26,27)(H3,21,23,24,25)
• InChIKey: GFQAMCVHNPAXDQ-UHFFFAOYSA-N
• XLogP: 19.06
• TPSA: 495.59 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 35
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2204.78
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine (CID 158241815) is 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine is C#CCN(C)C(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.C#Cc1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)NC3CCOCC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)NC3COC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCOc2ccc(S(N)(=O)=O)cc2)nc(N)n1.

What is the InChIKey of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine?

The InChIKey is GFQAMCVHNPAXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3S.C24H24ClN5O.C23H25ClN4O3S.C21H19ClN4.C19H20ClN5O3S/c1-17-22(6-3-7-23(17)26)24-16-20(28-25(27)29-24)5-2-4-18-8-10-21(11-9-18)34(31,32)30-19-12-14-33-15-13-19;1-4-14-30(3)23(31)18-10-8-17(9-11-18)12-13-27-22-15-21(28-24(26)29-22)19-6-5-7-20(25)16(19)2;1-15-20(6-3-7-21(15)24)22-12-17(26-23(25)27-22)5-2-4-16-8-10-19(11-9-16)32(29,30)28-18-13-31-14-18;1-3-15-7-9-16(10-8-15)11-12-24-20-13-19(25-21(23)26-20)17-5-4-6-18(22)14(17)2;1-12-15(3-2-4-16(12)20)17-11-18(25-19(21)24-17)23-9-10-28-13-5-7-14(8-6-13)29(22,26)27/h3,6-11,16,19,30H,2,4-5,12-15H2,1H3,(H2,27,28,29);1,5-11,15H,12-14H2,2-3H3,(H3,26,27,28,29);3,6-12,18,28H,2,4-5,13-14H2,1H3,(H2,25,26,27);1,4-10,13H,11-12H2,2H3,(H3,23,24,25,26);2-8,11H,9-10H2,1H3,(H2,22,26,27)(H3,21,23,24,25).

What are the key properties of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine?

4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 2204.78 g/mol, XLogP of 19.06, 35 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158241815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).