9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine

C68H78BrCl3N32O5 — CID 157442471

IUPAC9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine
SMILESBrCCn1c2ccccc2c2ccccc21.ClCCOCCl.NCCOCn1cnc2c(N)ncnc21.Nc1ncnc2c1ncn2COCCCl.Nc1ncnc2c1ncn2COCCNCCn1c2ccccc2c2ccccc21.Nc1ncnc2nc[nH]c12.[N-]=[N+]=NCCOCn1cnc2c(N)ncnc21
InChIInChI=1S/C22H23N7O.C14H12BrN.C8H10ClN5O.C8H10N8O.C8H12N6O.C5H5N5.C3H6Cl2O/c23-21-20-22(26-13-25-21)28(14-27-20)15-30-12-10-24-9-11-29-18-7-3-1-5-16(18)17-6-2-4-8-19(17)29;15-9-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16;9-1-2-15-5-14-4-13-6-7(10)11-3-12-8(6)14;9-7-6-8(12-3-11-7)16(4-13-6)5-17-2-1-14-15-10;9-1-2-15-5-14-4-13-6-7(10)11-3-12-8(6)14;6-4-3-5(9-1-7-3)10-2-8-4;4-1-2-6-3-5/h1-8,13-14,24H,9-12,15H2,(H2,23,25,26);1-8H,9-10H2;3-4H,1-2,5H2,(H2,10,11,12);3-4H,1-2,5H2,(H2,9,11,12);3-4H,1-2,5,9H2,(H2,10,11,12);1-2H,(H3,6,7,8,9,10);1-3H2
InChIKeyBRVGBERPTAKZSU-UHFFFAOYSA-N
MW1609.85 g/mol
LogP9.00
Rot. Bonds26

About 9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine

9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine (PubChem CID 157442471) has the molecular formula C68H78BrCl3N32O5 and a molecular weight of 1609.85 g/mol. Its IUPAC name is 9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine.

Molecular Properties

Compound Name9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine
PubChem CID157442471
Molecular FormulaC68H78BrCl3N32O5
Molecular Weight1609.85 g/mol
Exact Mass1606.51
IUPAC Name9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine
SMILESBrCCn1c2ccccc2c2ccccc21.ClCCOCCl.NCCOCn1cnc2c(N)ncnc21.Nc1ncnc2c1ncn2COCCCl.Nc1ncnc2c1ncn2COCCNCCn1c2ccccc2c2ccccc21.Nc1ncnc2nc[nH]c12.[N-]=[N+]=NCCOCn1cnc2c(N)ncnc21
InChIInChI=1S/C22H23N7O.C14H12BrN.C8H10ClN5O.C8H10N8O.C8H12N6O.C5H5N5.C3H6Cl2O/c23-21-20-22(26-13-25-21)28(14-27-20)15-30-12-10-24-9-11-29-18-7-3-1-5-16(18)17-6-2-4-8-19(17)29;15-9-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16;9-1-2-15-5-14-4-13-6-7(10)11-3-12-8(6)14;9-7-6-8(12-3-11-7)16(4-13-6)5-17-2-1-14-15-10;9-1-2-15-5-14-4-13-6-7(10)11-3-12-8(6)14;6-4-3-5(9-1-7-3)10-2-8-4;4-1-2-6-3-5/h1-8,13-14,24H,9-12,15H2,(H2,23,25,26);1-8H,9-10H2;3-4H,1-2,5H2,(H2,10,11,12);3-4H,1-2,5H2,(H2,9,11,12);3-4H,1-2,5,9H2,(H2,10,11,12);1-2H,(H3,6,7,8,9,10);1-3H2
InChIKeyBRVGBERPTAKZSU-UHFFFAOYSA-N
XLogP9.00
TPSA501.78 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001609.85
LogP ≤ 59.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine with MolForge

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Related Compounds

7-benzyl-6-methylidene-2-propoxy-5H-pyrrolo[2,3-d]pyrimidin-4-amine;7-benzyl-6-methylidene-2-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-4-amine;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine;2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine;2-N-butyl-7H-purine-2,6-diamine;3,13-dimethyl-1,9,12-triaza-4-azoniatetracyclo[6.5.2.04,15.011,14]pentadeca-4,6,8(15),9,11(14),12-hexaen-10-amine
CID 158354929
7-benzyl-6-methylidene-2-propoxy-5H-pyrrolo[2,3-d]pyrimidin-4-amine;1-benzyl-2-methylidene-6-(trifluoromethyl)-3H-pyrrolo[3,2-c]pyridin-4-amine;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine;2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine;2-N-butyl-6-methylidene-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-butyl-7H-purine-2,6-diamine;3,13-dimethyl-1,9,12-triaza-4-azoniatetracyclo[6.5.2.04,15.011,14]pentadeca-4,6,8(15),9,11(14),12-hexaen-10-amine
CID 161963882
4-[2-[3-Fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride
CID 163464069
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-9-(oxetan-3-yl)purin-6-amine;N-[2-(1H-indol-3-yl)ethyl]-2-(5-methyl-3-pyridinyl)-9-(oxetan-3-yl)purin-6-amine
CID 138617588
1-[1-[[9-ethyl-2-(5-fluoroindol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]pyrrolidin-2-one;1-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-amine;propane
CID 144095940
N-benzhydryl-3-methylimidazo[1,2-a]pyrazin-8-amine;N-benzyl-3-methylimidazo[1,2-a]pyrazin-8-amine;3-bromo-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-(2-methoxyethyl)-3-methylimidazo[1,2-a]pyrazin-8-amine;3-methyl-N-phenylimidazo[1,2-a]pyrazin-8-amine;3-methyl-N-(2-pyridin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 157070312
3-(1-bromoethyl)-2-chloroquinoline;N-[1-(2-chloroquinolin-3-yl)ethyl]-9-(oxan-2-yl)purin-6-amine;9-(oxan-2-yl)purin-6-amine;9-(oxan-2-yl)-N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 157226082
5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine
CID 157262279
N',N'-dimethyl-N-(9H-pyrimido[4,5-b]indol-4-yl)ethane-1,2-diamine;N'-(9H-pyrimido[4,5-b]indol-4-yl)ethane-1,2-diamine;4-(9H-pyrimido[4,5-b]indol-4-yl)morpholine;[(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine;N'-(9H-pyrimido[4,5-b]indol-4-yl)propane-1,3-diamine
CID 157333949
2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157374423
sodium;5-bromo-6-methyl-1H-pyrrolo[2,3-b]pyridine;2-[(5-bromo-6-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;diphenylmethanimine;hydride;6-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-amine;N-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1,1-diphenylmethanimine;trimethyl-[2-(2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaen-4-ylmethoxy)ethyl]silane
CID 157380212
N-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;N-[1-(2-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[1-(2-pyrrolidin-1-ylquinolin-3-yl)propyl]-1,4,5,7-tetrahydropurin-6-imine
CID 157497890

Frequently Asked Questions

What is the IUPAC name of 9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine?
The IUPAC name of 9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine (CID 157442471) is 9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine.
What is the SMILES notation for 9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine?
The canonical SMILES for 9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine is BrCCn1c2ccccc2c2ccccc21.ClCCOCCl.NCCOCn1cnc2c(N)ncnc21.Nc1ncnc2c1ncn2COCCCl.Nc1ncnc2c1ncn2COCCNCCn1c2ccccc2c2ccccc21.Nc1ncnc2nc[nH]c12.[N-]=[N+]=NCCOCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine?
The InChIKey is BRVGBERPTAKZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O.C14H12BrN.C8H10ClN5O.C8H10N8O.C8H12N6O.C5H5N5.C3H6Cl2O/c23-21-20-22(26-13-25-21)28(14-27-20)15-30-12-10-24-9-11-29-18-7-3-1-5-16(18)17-6-2-4-8-19(17)29;15-9-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16;9-1-2-15-5-14-4-13-6-7(10)11-3-12-8(6)14;9-7-6-8(12-3-11-7)16(4-13-6)5-17-2-1-14-15-10;9-1-2-15-5-14-4-13-6-7(10)11-3-12-8(6)14;6-4-3-5(9-1-7-3)10-2-8-4;4-1-2-6-3-5/h1-8,13-14,24H,9-12,15H2,(H2,23,25,26);1-8H,9-10H2;3-4H,1-2,5H2,(H2,10,11,12);3-4H,1-2,5H2,(H2,9,11,12);3-4H,1-2,5,9H2,(H2,10,11,12);1-2H,(H3,6,7,8,9,10);1-3H2.
What are the key properties of 9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine?
9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine has a molecular weight of 1609.85 g/mol, XLogP of 9.00, 26 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminoethoxymethyl)purin-6-amine;9-(2-azidoethoxymethyl)purin-6-amine;9-(2-bromoethyl)carbazole;9-[2-(2-carbazol-9-ylethylamino)ethoxymethyl]purin-6-amine;1-chloro-2-(chloromethoxy)ethane;9-(2-chloroethoxymethyl)purin-6-amine;7H-purin-6-amine is sourced from PubChem (CID 157442471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).