N-[5-(4-benzyl-6-methylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzyl-6-methylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[5-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine;7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine

C149H152Cl6N28O2 — CID 158652245

About N-[5-(4-benzyl-6-methylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzyl-6-methylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[5-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine;7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine

N-[5-(4-benzyl-6-methylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzyl-6-methylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[5-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine;7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 158652245) has the molecular formula C149H152Cl6N28O2 and a molecular weight of 2579.77 g/mol. Its IUPAC name is N-[5-(4-benzyl-6-methylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzyl-6-methylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[5-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine;7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: N-[5-(4-benzyl-6-methylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzyl-6-methylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[5-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine;7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine
• PubChem CID: 158652245
• Molecular Formula: C149H152Cl6N28O2
• Molecular Weight: 2579.77 g/mol
• Exact Mass: 2575.08
• IUPAC Name: N-[5-(4-benzyl-6-methylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzyl-6-methylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[5-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine;7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine
• SMILES: COc1cc(C)cc(Cc2ccnc(CCCCCNc3ccnc4cc(Cl)ccc34)n2)c1.COc1cc(C)cc(Nc2ccnc(NCCCNc3ccnc4cc(Cl)ccc34)n2)c1.Cc1cc(Cc2ccccc2)nc(CCCCCNc2ccnc3cc(Cl)ccc23)n1.Cc1cc(Cc2ccccc2)nc(CCCNc2ccnc3cc(Cl)ccc23)n1.Cc1cc(Nc2ccccc2)nc(NCCCNc2ccnc3cc(Cl)ccc23)n1.Cc1ccc(Cc2cc(C)nc(CCCNc3ccnc4cc(Cl)ccc34)n2)cc1
• InChI: InChI=1S/C27H29ClN4O.C26H27ClN4.C25H25ClN4.C24H25ClN6O.C24H23ClN4.C23H23ClN6/c1-19-14-20(17-23(15-19)33-2)16-22-9-12-31-27(32-22)6-4-3-5-11-29-25-10-13-30-26-18-21(28)7-8-24(25)26;1-19-16-22(17-20-8-4-2-5-9-20)31-26(30-19)10-6-3-7-14-28-24-13-15-29-25-18-21(27)11-12-23(24)25;1-17-5-7-19(8-6-17)15-21-14-18(2)29-25(30-21)4-3-12-27-23-11-13-28-24-16-20(26)9-10-22(23)24;1-16-12-18(15-19(13-16)32-2)30-23-7-11-29-24(31-23)28-9-3-8-26-21-6-10-27-22-14-17(25)4-5-20(21)22;1-17-14-20(15-18-6-3-2-4-7-18)29-24(28-17)8-5-12-26-22-11-13-27-23-16-19(25)9-10-21(22)23;1-16-14-22(29-18-6-3-2-4-7-18)30-23(28-16)27-12-5-11-25-20-10-13-26-21-15-17(24)8-9-19(20)21/h7-10,12-15,17-18H,3-6,11,16H2,1-2H3,(H,29,30);2,4-5,8-9,11-13,15-16,18H,3,6-7,10,14,17H2,1H3,(H,28,29);5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,27,28);4-7,10-15H,3,8-9H2,1-2H3,(H,26,27)(H2,28,29,30,31);2-4,6-7,9-11,13-14,16H,5,8,12,15H2,1H3,(H,26,27);2-4,6-10,13-15H,5,11-12H2,1H3,(H,25,26)(H2,27,28,29,30)
• InChIKey: IBRUDFCJTGUXLE-UHFFFAOYSA-N
• XLogP: 35.66
• TPSA: 370.78 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 50
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2579.77
LogP ≤ 5	35.66
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-benzyl-6-methylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzyl-6-methylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[5-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine;7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine?

The IUPAC name of N-[5-(4-benzyl-6-methylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzyl-6-methylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[5-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine;7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine (CID 158652245) is N-[5-(4-benzyl-6-methylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzyl-6-methylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[5-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine;7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine.

What is the SMILES notation for N-[5-(4-benzyl-6-methylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzyl-6-methylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[5-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine;7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine?

The canonical SMILES for N-[5-(4-benzyl-6-methylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzyl-6-methylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[5-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine;7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine is COc1cc(C)cc(Cc2ccnc(CCCCCNc3ccnc4cc(Cl)ccc34)n2)c1.COc1cc(C)cc(Nc2ccnc(NCCCNc3ccnc4cc(Cl)ccc34)n2)c1.Cc1cc(Cc2ccccc2)nc(CCCCCNc2ccnc3cc(Cl)ccc23)n1.Cc1cc(Cc2ccccc2)nc(CCCNc2ccnc3cc(Cl)ccc23)n1.Cc1cc(Nc2ccccc2)nc(NCCCNc2ccnc3cc(Cl)ccc23)n1.Cc1ccc(Cc2cc(C)nc(CCCNc3ccnc4cc(Cl)ccc34)n2)cc1.

What is the InChIKey of N-[5-(4-benzyl-6-methylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzyl-6-methylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[5-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine;7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine?

The InChIKey is IBRUDFCJTGUXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O.C26H27ClN4.C25H25ClN4.C24H25ClN6O.C24H23ClN4.C23H23ClN6/c1-19-14-20(17-23(15-19)33-2)16-22-9-12-31-27(32-22)6-4-3-5-11-29-25-10-13-30-26-18-21(28)7-8-24(25)26;1-19-16-22(17-20-8-4-2-5-9-20)31-26(30-19)10-6-3-7-14-28-24-13-15-29-25-18-21(27)11-12-23(24)25;1-17-5-7-19(8-6-17)15-21-14-18(2)29-25(30-21)4-3-12-27-23-11-13-28-24-16-20(26)9-10-22(23)24;1-16-12-18(15-19(13-16)32-2)30-23-7-11-29-24(31-23)28-9-3-8-26-21-6-10-27-22-14-17(25)4-5-20(21)22;1-17-14-20(15-18-6-3-2-4-7-18)29-24(28-17)8-5-12-26-22-11-13-27-23-16-19(25)9-10-21(22)23;1-16-14-22(29-18-6-3-2-4-7-18)30-23(28-16)27-12-5-11-25-20-10-13-26-21-15-17(24)8-9-19(20)21/h7-10,12-15,17-18H,3-6,11,16H2,1-2H3,(H,29,30);2,4-5,8-9,11-13,15-16,18H,3,6-7,10,14,17H2,1H3,(H,28,29);5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,27,28);4-7,10-15H,3,8-9H2,1-2H3,(H,26,27)(H2,28,29,30,31);2-4,6-7,9-11,13-14,16H,5,8,12,15H2,1H3,(H,26,27);2-4,6-10,13-15H,5,11-12H2,1H3,(H,25,26)(H2,27,28,29,30).

What are the key properties of N-[5-(4-benzyl-6-methylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzyl-6-methylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[5-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine;7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine?

N-[5-(4-benzyl-6-methylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzyl-6-methylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[5-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine;7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 2579.77 g/mol, XLogP of 35.66, 50 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-benzyl-6-methylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzyl-6-methylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[5-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine;7-chloro-N-[3-[4-methyl-6-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 158652245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).