N-(1H-benzimidazol-2-ylmethyl)-2-chloro-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2,6-dichloro-9-thiophen-3-ylpurine;3H-indol-2-ylmethanamine;morpholine

C60H55Cl3N22O2S3 — CID 158635330

About N-(1H-benzimidazol-2-ylmethyl)-2-chloro-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2,6-dichloro-9-thiophen-3-ylpurine;3H-indol-2-ylmethanamine;morpholine

N-(1H-benzimidazol-2-ylmethyl)-2-chloro-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2,6-dichloro-9-thiophen-3-ylpurine;3H-indol-2-ylmethanamine;morpholine (PubChem CID 158635330) has the molecular formula C60H55Cl3N22O2S3 and a molecular weight of 1318.81 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-chloro-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2,6-dichloro-9-thiophen-3-ylpurine;3H-indol-2-ylmethanamine;morpholine.

Molecular Properties

• Compound Name: N-(1H-benzimidazol-2-ylmethyl)-2-chloro-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2,6-dichloro-9-thiophen-3-ylpurine;3H-indol-2-ylmethanamine;morpholine
• PubChem CID: 158635330
• Molecular Formula: C60H55Cl3N22O2S3
• Molecular Weight: 1318.81 g/mol
• Exact Mass: 1316.31
• IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-chloro-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2,6-dichloro-9-thiophen-3-ylpurine;3H-indol-2-ylmethanamine;morpholine
• SMILES: C1COCCN1.Clc1nc(Cl)c2ncn(-c3ccsc3)c2n1.Clc1nc(NCc2nc3ccccc3[nH]2)c2ncn(-c3ccsc3)c2n1.NCC1=Nc2ccccc2C1.c1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccsc3)nc2c1
• InChI: InChI=1S/C21H20N8OS.C17H12ClN7S.C9H4Cl2N4S.C9H10N2.C4H9NO/c1-2-4-16-15(3-1)24-17(25-16)11-22-19-18-20(29(13-23-18)14-5-10-31-12-14)27-21(26-19)28-6-8-30-9-7-28;18-17-23-15(19-7-13-21-11-3-1-2-4-12(11)22-13)14-16(24-17)25(9-20-14)10-5-6-26-8-10;10-7-6-8(14-9(11)13-7)15(4-12-6)5-1-2-16-3-5;10-6-8-5-7-3-1-2-4-9(7)11-8;1-3-6-4-2-5-1/h1-5,10,12-13H,6-9,11H2,(H,24,25)(H,22,26,27);1-6,8-9H,7H2,(H,21,22)(H,19,23,24);1-4H;1-4H,5-6,10H2;5H,1-4H2
• InChIKey: HZRXWHPSQUZYMD-UHFFFAOYSA-N
• XLogP: 11.28
• TPSA: 284.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 11
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1318.81
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2,6-dichloro-9-thiophen-3-ylpurine;3H-indol-2-ylmethanamine;morpholine?

The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2,6-dichloro-9-thiophen-3-ylpurine;3H-indol-2-ylmethanamine;morpholine (CID 158635330) is N-(1H-benzimidazol-2-ylmethyl)-2-chloro-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2,6-dichloro-9-thiophen-3-ylpurine;3H-indol-2-ylmethanamine;morpholine.

What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-chloro-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2,6-dichloro-9-thiophen-3-ylpurine;3H-indol-2-ylmethanamine;morpholine?

The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-chloro-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2,6-dichloro-9-thiophen-3-ylpurine;3H-indol-2-ylmethanamine;morpholine is C1COCCN1.Clc1nc(Cl)c2ncn(-c3ccsc3)c2n1.Clc1nc(NCc2nc3ccccc3[nH]2)c2ncn(-c3ccsc3)c2n1.NCC1=Nc2ccccc2C1.c1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccsc3)nc2c1.

What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2,6-dichloro-9-thiophen-3-ylpurine;3H-indol-2-ylmethanamine;morpholine?

The InChIKey is HZRXWHPSQUZYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8OS.C17H12ClN7S.C9H4Cl2N4S.C9H10N2.C4H9NO/c1-2-4-16-15(3-1)24-17(25-16)11-22-19-18-20(29(13-23-18)14-5-10-31-12-14)27-21(26-19)28-6-8-30-9-7-28;18-17-23-15(19-7-13-21-11-3-1-2-4-12(11)22-13)14-16(24-17)25(9-20-14)10-5-6-26-8-10;10-7-6-8(14-9(11)13-7)15(4-12-6)5-1-2-16-3-5;10-6-8-5-7-3-1-2-4-9(7)11-8;1-3-6-4-2-5-1/h1-5,10,12-13H,6-9,11H2,(H,24,25)(H,22,26,27);1-6,8-9H,7H2,(H,21,22)(H,19,23,24);1-4H;1-4H,5-6,10H2;5H,1-4H2.

What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2,6-dichloro-9-thiophen-3-ylpurine;3H-indol-2-ylmethanamine;morpholine?

N-(1H-benzimidazol-2-ylmethyl)-2-chloro-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2,6-dichloro-9-thiophen-3-ylpurine;3H-indol-2-ylmethanamine;morpholine has a molecular weight of 1318.81 g/mol, XLogP of 11.28, 11 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-benzimidazol-2-ylmethyl)-2-chloro-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2,6-dichloro-9-thiophen-3-ylpurine;3H-indol-2-ylmethanamine;morpholine is sourced from PubChem (CID 158635330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).