[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(3-pyridin-3-ylpropyl)pyrimidine-2,4-diamine

C109H125Cl2N23O8S3 — CID 161017409

About [4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(3-pyridin-3-ylpropyl)pyrimidine-2,4-diamine

[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(3-pyridin-3-ylpropyl)pyrimidine-2,4-diamine (PubChem CID 161017409) has the molecular formula C109H125Cl2N23O8S3 and a molecular weight of 2052.46 g/mol. Its IUPAC name is [4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(3-pyridin-3-ylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: [4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(3-pyridin-3-ylpropyl)pyrimidine-2,4-diamine
• PubChem CID: 161017409
• Molecular Formula: C109H125Cl2N23O8S3
• Molecular Weight: 2052.46 g/mol
• Exact Mass: 2049.86
• IUPAC Name: [4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(3-pyridin-3-ylpropyl)pyrimidine-2,4-diamine
• SMILES: CNS(=O)(=O)c1ccc(CCCNc2cc(-c3cccc(C)c3C)nc(N)n2)nc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)N3CCOCC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(C)(=O)=O)cc2)nc(N)n1.Cc1cccc(-c2cc(CCCCCc3ccc(S(N)(=O)=O)cn3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3cccnc3)nc(N)n2)c1C
• InChI: InChI=1S/C25H27ClN4O2.C22H27N5O2S.C21H22ClN3O2S.C21H26N6O2S.C20H23N5/c1-17-21(6-3-7-22(17)26)23-16-20(28-25(27)29-23)5-2-4-18-8-10-19(11-9-18)24(31)30-12-14-32-15-13-30;1-15-7-6-10-20(16(15)2)21-13-18(26-22(23)27-21)9-5-3-4-8-17-11-12-19(14-25-17)30(24,28)29;1-14-18(7-4-8-19(14)22)20-13-16(24-21(23)25-20)6-3-5-15-9-11-17(12-10-15)28(2,26)27;1-14-6-4-8-18(15(14)2)19-12-20(27-21(22)26-19)24-11-5-7-16-9-10-17(13-25-16)30(28,29)23-3;1-14-6-3-9-17(15(14)2)18-12-19(25-20(21)24-18)23-11-5-8-16-7-4-10-22-13-16/h3,6-11,16H,2,4-5,12-15H2,1H3,(H2,27,28,29);6-7,10-14H,3-5,8-9H2,1-2H3,(H2,23,26,27)(H2,24,28,29);4,7-13H,3,5-6H2,1-2H3,(H2,23,24,25);4,6,8-10,12-13,23H,5,7,11H2,1-3H3,(H3,22,24,26,27);3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H3,21,23,24,25)
• InChIKey: TXXDJHXDACMHOG-UHFFFAOYSA-N
• XLogP: 18.42
• TPSA: 491.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2052.46
LogP ≤ 5	18.42
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(3-pyridin-3-ylpropyl)pyrimidine-2,4-diamine?

The IUPAC name of [4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(3-pyridin-3-ylpropyl)pyrimidine-2,4-diamine (CID 161017409) is [4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(3-pyridin-3-ylpropyl)pyrimidine-2,4-diamine.

What is the SMILES notation for [4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(3-pyridin-3-ylpropyl)pyrimidine-2,4-diamine?

The canonical SMILES for [4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(3-pyridin-3-ylpropyl)pyrimidine-2,4-diamine is CNS(=O)(=O)c1ccc(CCCNc2cc(-c3cccc(C)c3C)nc(N)n2)nc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)N3CCOCC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(C)(=O)=O)cc2)nc(N)n1.Cc1cccc(-c2cc(CCCCCc3ccc(S(N)(=O)=O)cn3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3cccnc3)nc(N)n2)c1C.

What is the InChIKey of [4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(3-pyridin-3-ylpropyl)pyrimidine-2,4-diamine?

The InChIKey is TXXDJHXDACMHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2.C22H27N5O2S.C21H22ClN3O2S.C21H26N6O2S.C20H23N5/c1-17-21(6-3-7-22(17)26)23-16-20(28-25(27)29-23)5-2-4-18-8-10-19(11-9-18)24(31)30-12-14-32-15-13-30;1-15-7-6-10-20(16(15)2)21-13-18(26-22(23)27-21)9-5-3-4-8-17-11-12-19(14-25-17)30(24,28)29;1-14-18(7-4-8-19(14)22)20-13-16(24-21(23)25-20)6-3-5-15-9-11-17(12-10-15)28(2,26)27;1-14-6-4-8-18(15(14)2)19-12-20(27-21(22)26-19)24-11-5-7-16-9-10-17(13-25-16)30(28,29)23-3;1-14-6-3-9-17(15(14)2)18-12-19(25-20(21)24-18)23-11-5-8-16-7-4-10-22-13-16/h3,6-11,16H,2,4-5,12-15H2,1H3,(H2,27,28,29);6-7,10-14H,3-5,8-9H2,1-2H3,(H2,23,26,27)(H2,24,28,29);4,7-13H,3,5-6H2,1-2H3,(H2,23,24,25);4,6,8-10,12-13,23H,5,7,11H2,1-3H3,(H3,22,24,26,27);3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H3,21,23,24,25).

What are the key properties of [4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(3-pyridin-3-ylpropyl)pyrimidine-2,4-diamine?

[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(3-pyridin-3-ylpropyl)pyrimidine-2,4-diamine has a molecular weight of 2052.46 g/mol, XLogP of 18.42, 34 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(3-pyridin-3-ylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 161017409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).