4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine

C124H138ClN23O — CID 159683962

About 4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine

4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine (PubChem CID 159683962) has the molecular formula C124H138ClN23O and a molecular weight of 2002.08 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine
• PubChem CID: 159683962
• Molecular Formula: C124H138ClN23O
• Molecular Weight: 2002.08 g/mol
• Exact Mass: 2000.11
• IUPAC Name: 4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine
• SMILES: Cc1ccc(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1.Cc1cccc(-c2cc(CCCc3ccc(Cl)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccccn3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCC(C)c3ccccc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccccc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCOc3ccccc3)nc(N)n2)c1C
• InChI: InChI=1S/C21H22ClN3.3C21H24N4.C20H22N4O.C20H22N4/c1-14-5-3-8-19(15(14)2)20-13-18(24-21(23)25-20)7-4-6-16-9-11-17(22)12-10-16;1-14-7-9-17(10-8-14)11-12-23-20-13-19(24-21(22)25-20)18-6-4-5-15(2)16(18)3;1-14-8-7-11-18(16(14)3)19-12-20(25-21(22)24-19)23-13-15(2)17-9-5-4-6-10-17;1-15-8-6-12-18(16(15)2)19-14-20(25-21(22)24-19)23-13-7-11-17-9-4-3-5-10-17;1-14-7-6-10-17(15(14)2)18-13-19(24-20(21)23-18)22-11-12-25-16-8-4-3-5-9-16;1-14-7-5-11-18(15(14)2)19-13-17(23-20(21)24-19)10-6-9-16-8-3-4-12-22-16/h3,5,8-13H,4,6-7H2,1-2H3,(H2,23,24,25);4-10,13H,11-12H2,1-3H3,(H3,22,23,24,25);4-12,15H,13H2,1-3H3,(H3,22,23,24,25);3-6,8-10,12,14H,7,11,13H2,1-2H3,(H3,22,23,24,25);3-10,13H,11-12H2,1-2H3,(H3,21,22,23,24);3-5,7-8,11-13H,6,9-10H2,1-2H3,(H2,21,23,24)
• InChIKey: MVOACMDMRXBTIH-UHFFFAOYSA-N
• XLogP: 26.17
• TPSA: 381.04 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2002.08
LogP ≤ 5	26.17
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine?

The IUPAC name of 4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine (CID 159683962) is 4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine.

What is the SMILES notation for 4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine?

The canonical SMILES for 4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine is Cc1ccc(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)cc1.Cc1cccc(-c2cc(CCCc3ccc(Cl)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccccn3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCC(C)c3ccccc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccccc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCOc3ccccc3)nc(N)n2)c1C.

What is the InChIKey of 4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine?

The InChIKey is MVOACMDMRXBTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3.3C21H24N4.C20H22N4O.C20H22N4/c1-14-5-3-8-19(15(14)2)20-13-18(24-21(23)25-20)7-4-6-16-9-11-17(22)12-10-16;1-14-7-9-17(10-8-14)11-12-23-20-13-19(24-21(22)25-20)18-6-4-5-15(2)16(18)3;1-14-8-7-11-18(16(14)3)19-12-20(25-21(22)24-19)23-13-15(2)17-9-5-4-6-10-17;1-15-8-6-12-18(16(15)2)19-14-20(25-21(22)24-19)23-13-7-11-17-9-4-3-5-10-17;1-14-7-6-10-17(15(14)2)18-13-19(24-20(21)23-18)22-11-12-25-16-8-4-3-5-9-16;1-14-7-5-11-18(15(14)2)19-13-17(23-20(21)24-19)10-6-9-16-8-3-4-12-22-16/h3,5,8-13H,4,6-7H2,1-2H3,(H2,23,24,25);4-10,13H,11-12H2,1-3H3,(H3,22,23,24,25);4-12,15H,13H2,1-3H3,(H3,22,23,24,25);3-6,8-10,12,14H,7,11,13H2,1-2H3,(H3,22,23,24,25);3-10,13H,11-12H2,1-2H3,(H3,21,22,23,24);3-5,7-8,11-13H,6,9-10H2,1-2H3,(H2,21,23,24).

What are the key properties of 4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine?

4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine has a molecular weight of 2002.08 g/mol, XLogP of 26.17, 32 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-chlorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2-phenylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-pyridin-2-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 159683962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).