N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine

C84H87N33O2S — CID 161454580

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine
SMILESCC(C)n1cnc2c(NCc3nc4ccccc4[nH]3)nc(Cc3cccnc3)nc21.CC(C)n1cnc2c(NCc3nc4ccccc4[nH]3)nc(Cc3cnccn3)nc21.CC(C)n1cnc2c(NCc3nc4ccccc4[nH]3)nc(N3CCOCC3)nc21.c1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccsc3)nc2c1
InChIInChI=1S/C22H22N8.C21H21N9.C21H20N8OS.C20H24N8O/c1-14(2)30-13-25-20-21(24-12-19-26-16-7-3-4-8-17(16)27-19)28-18(29-22(20)30)10-15-6-5-9-23-11-15;1-13(2)30-12-25-19-20(24-11-18-26-15-5-3-4-6-16(15)27-18)28-17(29-21(19)30)9-14-10-22-7-8-23-14;1-2-4-16-15(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;1-13(2)28-12-22-17-18(21-11-16-23-14-5-3-4-6-15(14)24-16)25-20(26-19(17)28)27-7-9-29-10-8-27/h3-9,11,13-14H,10,12H2,1-2H3,(H,26,27)(H,24,28,29);3-8,10,12-13H,9,11H2,1-2H3,(H,26,27)(H,24,28,29);1-5,10,12-13H,6-9,11H2,(H,24,25)(H,22,26,27);3-6,12-13H,7-11H2,1-2H3,(H,23,24)(H,21,25,26)
InChIKeyWAZFNDHCJMMUNV-UHFFFAOYSA-N
MW1622.92 g/mol
LogP13.09
Rot. Bonds22

About N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine

N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine (PubChem CID 161454580) has the molecular formula C84H87N33O2S and a molecular weight of 1622.92 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine
PubChem CID161454580
Molecular FormulaC84H87N33O2S
Molecular Weight1622.92 g/mol
Exact Mass1621.74
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine
SMILESCC(C)n1cnc2c(NCc3nc4ccccc4[nH]3)nc(Cc3cccnc3)nc21.CC(C)n1cnc2c(NCc3nc4ccccc4[nH]3)nc(Cc3cnccn3)nc21.CC(C)n1cnc2c(NCc3nc4ccccc4[nH]3)nc(N3CCOCC3)nc21.c1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccsc3)nc2c1
InChIInChI=1S/C22H22N8.C21H21N9.C21H20N8OS.C20H24N8O/c1-14(2)30-13-25-20-21(24-12-19-26-16-7-3-4-8-17(16)27-19)28-18(29-22(20)30)10-15-6-5-9-23-11-15;1-13(2)30-12-25-19-20(24-11-18-26-15-5-3-4-6-16(15)27-18)28-17(29-21(19)30)9-14-10-22-7-8-23-14;1-2-4-16-15(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;1-13(2)28-12-22-17-18(21-11-16-23-14-5-3-4-6-15(14)24-16)25-20(26-19(17)28)27-7-9-29-10-8-27/h3-9,11,13-14H,10,12H2,1-2H3,(H,26,27)(H,24,28,29);3-8,10,12-13H,9,11H2,1-2H3,(H,26,27)(H,24,28,29);1-5,10,12-13H,6-9,11H2,(H,24,25)(H,22,26,27);3-6,12-13H,7-11H2,1-2H3,(H,23,24)(H,21,25,26)
InChIKeyWAZFNDHCJMMUNV-UHFFFAOYSA-N
XLogP13.09
TPSA400.85 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds22
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001622.92
LogP ≤ 513.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

2-morpholin-4-yl-9-thiophen-3-yl-N-[[4-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]purin-6-amine
CID 45100428
2-(4-morpholinyl)-9-(3-thiophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-6-purinamine
CID 45100452
N-(1H-benzimidazol-2-ylmethyl)-2-(4-morpholinyl)-9-(3-thiophenyl)-6-purinamine
CID 45115629
2-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 117666201
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-(2-thiophen-3-ylethyl)purin-6-amine
CID 76401633
N-(3H-imidazo[4,5-f]quinolin-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine
CID 45100426
N-[1-[[2-(7-fluoro-1H-indol-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N'-[1-[[2-(5-fluoro-2-methylindol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N,N'-dimethylethane-1,2-diamine
CID 91298900
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2-morpholin-4-yl-9-thiophen-3-yl-N-[[4-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]purin-6-amine;2-morpholin-4-yl-9-thiophen-3-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]purin-6-amine
CID 157406004
N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(1-methoxypropan-2-yl)-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-[2-(trifluoromethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 157826901
bis(2-methyl-4-[5-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole);4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;2-[5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-(trifluoromethyl)-1,3-thiazole;bis(4-[4-[3-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine)
CID 158963062
2-N-(1-benzylpiperidin-4-yl)-6-N-(4-morpholin-4-ylphenyl)-9-thiophen-3-ylpurine-2,6-diamine
CID 117079349
N-[2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117079923

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine (CID 161454580) is N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine is CC(C)n1cnc2c(NCc3nc4ccccc4[nH]3)nc(Cc3cccnc3)nc21.CC(C)n1cnc2c(NCc3nc4ccccc4[nH]3)nc(Cc3cnccn3)nc21.CC(C)n1cnc2c(NCc3nc4ccccc4[nH]3)nc(N3CCOCC3)nc21.c1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccsc3)nc2c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine?
The InChIKey is WAZFNDHCJMMUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8.C21H21N9.C21H20N8OS.C20H24N8O/c1-14(2)30-13-25-20-21(24-12-19-26-16-7-3-4-8-17(16)27-19)28-18(29-22(20)30)10-15-6-5-9-23-11-15;1-13(2)30-12-25-19-20(24-11-18-26-15-5-3-4-6-16(15)27-18)28-17(29-21(19)30)9-14-10-22-7-8-23-14;1-2-4-16-15(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;1-13(2)28-12-22-17-18(21-11-16-23-14-5-3-4-6-15(14)24-16)25-20(26-19(17)28)27-7-9-29-10-8-27/h3-9,11,13-14H,10,12H2,1-2H3,(H,26,27)(H,24,28,29);3-8,10,12-13H,9,11H2,1-2H3,(H,26,27)(H,24,28,29);1-5,10,12-13H,6-9,11H2,(H,24,25)(H,22,26,27);3-6,12-13H,7-11H2,1-2H3,(H,23,24)(H,21,25,26).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine?
N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine has a molecular weight of 1622.92 g/mol, XLogP of 13.09, 22 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine is sourced from PubChem (CID 161454580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).