bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline

C130H133Cl3N22O5 — CID 157492631

About bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline

bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline (PubChem CID 157492631) has the molecular formula C130H133Cl3N22O5 and a molecular weight of 2190.00 g/mol. Its IUPAC name is bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline.

Molecular Properties

• Compound Name: bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline
• PubChem CID: 157492631
• Molecular Formula: C130H133Cl3N22O5
• Molecular Weight: 2190.00 g/mol
• Exact Mass: 2186.99
• IUPAC Name: bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline
• SMILES: CNc1ccc(OC)cc1.COc1ccc(N(C)c2nc(C)nc3c(Cc4ccccc4)cn(C)c23)cc1.COc1ccc(N)cc1.COc1ccc(Nc2nc(C)nc3c(Cc4ccccc4)cn(C)c23)cc1.COc1ccc2c(c1)CCCN2c1nc(C)nc2c(Cc3ccccc3)cn(C)c12.Cc1nc(Cl)c2c(n1)C(Cc1ccccc1)=CC2.Cc1nc(Cl)c2c(n1)c(Cc1ccccc1)cn2C.Cc1nc(Cl)c2c(n1)c(Cc1ccccc1)cn2C
• InChI: InChI=1S/C25H26N4O.C23H24N4O.C22H22N4O.2C15H14ClN3.C15H13ClN2.C8H11NO.C7H9NO/c1-17-26-23-20(14-18-8-5-4-6-9-18)16-28(2)24(23)25(27-17)29-13-7-10-19-15-21(30-3)11-12-22(19)29;1-16-24-21-18(14-17-8-6-5-7-9-17)15-26(2)22(21)23(25-16)27(3)19-10-12-20(28-4)13-11-19;1-15-23-20-17(13-16-7-5-4-6-8-16)14-26(2)21(20)22(24-15)25-18-9-11-19(27-3)12-10-18;2*1-10-17-13-12(8-11-6-4-3-5-7-11)9-19(2)14(13)15(16)18-10;1-10-17-14-12(7-8-13(14)15(16)18-10)9-11-5-3-2-4-6-11;1-9-7-3-5-8(10-2)6-4-7;1-9-7-4-2-6(8)3-5-7/h4-6,8-9,11-12,15-16H,7,10,13-14H2,1-3H3;5-13,15H,14H2,1-4H3;4-12,14H,13H2,1-3H3,(H,23,24,25);2*3-7,9H,8H2,1-2H3;2-7H,8-9H2,1H3;3-6,9H,1-2H3;2-5H,8H2,1H3
• InChIKey: BXLPQOJSGRLUIM-UHFFFAOYSA-N
• XLogP: 27.90
• TPSA: 282.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2190.00
LogP ≤ 5	27.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline?

The IUPAC name of bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline (CID 157492631) is bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline.

What is the SMILES notation for bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline?

The canonical SMILES for bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline is CNc1ccc(OC)cc1.COc1ccc(N(C)c2nc(C)nc3c(Cc4ccccc4)cn(C)c23)cc1.COc1ccc(N)cc1.COc1ccc(Nc2nc(C)nc3c(Cc4ccccc4)cn(C)c23)cc1.COc1ccc2c(c1)CCCN2c1nc(C)nc2c(Cc3ccccc3)cn(C)c12.Cc1nc(Cl)c2c(n1)C(Cc1ccccc1)=CC2.Cc1nc(Cl)c2c(n1)c(Cc1ccccc1)cn2C.Cc1nc(Cl)c2c(n1)c(Cc1ccccc1)cn2C.

What is the InChIKey of bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline?

The InChIKey is BXLPQOJSGRLUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O.C23H24N4O.C22H22N4O.2C15H14ClN3.C15H13ClN2.C8H11NO.C7H9NO/c1-17-26-23-20(14-18-8-5-4-6-9-18)16-28(2)24(23)25(27-17)29-13-7-10-19-15-21(30-3)11-12-22(19)29;1-16-24-21-18(14-17-8-6-5-7-9-17)15-26(2)22(21)23(25-16)27(3)19-10-12-20(28-4)13-11-19;1-15-23-20-17(13-16-7-5-4-6-8-16)14-26(2)21(20)22(24-15)25-18-9-11-19(27-3)12-10-18;2*1-10-17-13-12(8-11-6-4-3-5-7-11)9-19(2)14(13)15(16)18-10;1-10-17-14-12(7-8-13(14)15(16)18-10)9-11-5-3-2-4-6-11;1-9-7-3-5-8(10-2)6-4-7;1-9-7-4-2-6(8)3-5-7/h4-6,8-9,11-12,15-16H,7,10,13-14H2,1-3H3;5-13,15H,14H2,1-4H3;4-12,14H,13H2,1-3H3,(H,23,24,25);2*3-7,9H,8H2,1-2H3;2-7H,8-9H2,1H3;3-6,9H,1-2H3;2-5H,8H2,1H3.

What are the key properties of bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline?

bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline has a molecular weight of 2190.00 g/mol, XLogP of 27.90, 23 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline is sourced from PubChem (CID 157492631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).