6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate

C125H130Cl6N24O11S — CID 159073616

About 6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate

6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate (PubChem CID 159073616) has the molecular formula C125H130Cl6N24O11S and a molecular weight of 2389.36 g/mol. Its IUPAC name is 6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate.

Molecular Properties

• Compound Name: 6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
• PubChem CID: 159073616
• Molecular Formula: C125H130Cl6N24O11S
• Molecular Weight: 2389.36 g/mol
• Exact Mass: 2384.82
• IUPAC Name: 6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
• SMILES: Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)OCC(O)CO)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)OCCO)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(C(=O)OCCS(C)(=O)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccccc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccccn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccncc2)nc(N)n1
• InChI: InChI=1S/C24H26ClN3O4.C23H25ClN4O4S.C23H24ClN3O3.C19H19ClN4.2C18H18ClN5/c1-15-20(6-3-7-21(15)25)22-12-18(27-24(26)28-22)5-2-4-16-8-10-17(11-9-16)23(31)32-14-19(30)13-29;1-15-18(4-3-5-19(15)24)20-14-21(28-23(25)27-20)26-11-10-16-6-8-17(9-7-16)22(29)32-12-13-33(2,30)31;1-15-19(6-3-7-20(15)24)21-14-18(26-23(25)27-21)5-2-4-16-8-10-17(11-9-16)22(29)30-13-12-28;1-13-15(8-5-9-16(13)20)17-12-18(24-19(21)23-17)22-11-10-14-6-3-2-4-7-14;1-12-14(6-4-7-15(12)19)16-11-17(24-18(20)23-16)22-10-8-13-5-2-3-9-21-13;1-12-14(3-2-4-15(12)19)16-11-17(24-18(20)23-16)22-10-7-13-5-8-21-9-6-13/h3,6-12,19,29-30H,2,4-5,13-14H2,1H3,(H2,26,27,28);3-9,14H,10-13H2,1-2H3,(H3,25,26,27,28);3,6-11,14,28H,2,4-5,12-13H2,1H3,(H2,25,26,27);2-9,12H,10-11H2,1H3,(H3,21,22,23,24);2-7,9,11H,8,10H2,1H3,(H3,20,22,23,24);2-6,8-9,11H,7,10H2,1H3,(H3,20,22,23,24)
• InChIKey: JZYXSKRDYGCCKQ-UHFFFAOYSA-N
• XLogP: 22.75
• TPSA: 558.43 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Rotatable Bonds: 41
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2389.36
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate?

The IUPAC name of 6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate (CID 159073616) is 6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate.

What is the SMILES notation for 6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate?

The canonical SMILES for 6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate is Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)OCC(O)CO)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)OCCO)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(C(=O)OCCS(C)(=O)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccccc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccccn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccncc2)nc(N)n1.

What is the InChIKey of 6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate?

The InChIKey is JZYXSKRDYGCCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4.C23H25ClN4O4S.C23H24ClN3O3.C19H19ClN4.2C18H18ClN5/c1-15-20(6-3-7-21(15)25)22-12-18(27-24(26)28-22)5-2-4-16-8-10-17(11-9-16)23(31)32-14-19(30)13-29;1-15-18(4-3-5-19(15)24)20-14-21(28-23(25)27-20)26-11-10-16-6-8-17(9-7-16)22(29)32-12-13-33(2,30)31;1-15-19(6-3-7-20(15)24)21-14-18(26-23(25)27-21)5-2-4-16-8-10-17(11-9-16)22(29)30-13-12-28;1-13-15(8-5-9-16(13)20)17-12-18(24-19(21)23-17)22-11-10-14-6-3-2-4-7-14;1-12-14(6-4-7-15(12)19)16-11-17(24-18(20)23-16)22-10-8-13-5-2-3-9-21-13;1-12-14(3-2-4-15(12)19)16-11-17(24-18(20)23-16)22-10-7-13-5-8-21-9-6-13/h3,6-12,19,29-30H,2,4-5,13-14H2,1H3,(H2,26,27,28);3-9,14H,10-13H2,1-2H3,(H3,25,26,27,28);3,6-11,14,28H,2,4-5,12-13H2,1H3,(H2,25,26,27);2-9,12H,10-11H2,1H3,(H3,21,22,23,24);2-7,9,11H,8,10H2,1H3,(H3,20,22,23,24);2-6,8-9,11H,7,10H2,1H3,(H3,20,22,23,24).

What are the key properties of 6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate?

6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate has a molecular weight of 2389.36 g/mol, XLogP of 22.75, 41 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate is sourced from PubChem (CID 159073616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).