3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine

C122H153N51O27 — CID 157080548

IUPAC3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine
SMILESCC(C)(C)OC(=O)NCCC(=O)Nc1cccc(N)n1.CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)nc(N)nc21.CCC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)nc(N)nc21.CCOC(=O)Cn1cnc2c(N)nc(N)nc21.CCOC(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)nc(N)nc21.NCCC(=O)Nc1cccc(N)n1.Nc1cccc(N)n1.Nc1nc(N)c2[nH]cnc2n1.Nc1nc(NC(=O)OCc2ccccc2)c2ncn(CC(=O)O)c2n1
InChIInChI=1S/C26H34N8O6.C24H30N8O7.C17H18N6O4.C15H14N6O4.C13H20N4O3.C9H12N6O2.C8H12N4O.C5H6N6.C5H7N3/c1-5-18(35)13-33(12-11-28-24(37)40-26(2,3)4)19(36)14-34-16-29-20-21(30-23(27)32-22(20)34)31-25(38)39-15-17-9-7-6-8-10-17;1-24(2,3)39-22(36)26-9-10-31(12-17(34)35)16(33)11-32-14-27-18-19(28-21(25)30-20(18)32)29-23(37)38-13-15-7-5-4-6-8-15;1-2-26-12(24)8-23-10-19-13-14(20-16(18)22-15(13)23)21-17(25)27-9-11-6-4-3-5-7-11;16-14-18-12(11-13(20-14)21(8-17-11)6-10(22)23)19-15(24)25-7-9-4-2-1-3-5-9;1-13(2,3)20-12(19)15-8-7-11(18)17-10-6-4-5-9(14)16-10;1-2-17-5(16)3-15-4-12-6-7(10)13-9(11)14-8(6)15;9-5-4-8(13)12-7-3-1-2-6(10)11-7;6-3-2-4(9-1-8-2)11-5(7)10-3;6-4-2-1-3-5(7)8-4/h6-10,16H,5,11-15H2,1-4H3,(H,28,37)(H3,27,30,31,32,38);4-8,14H,9-13H2,1-3H3,(H,26,36)(H,34,35)(H3,25,28,29,30,37);3-7,10H,2,8-9H2,1H3,(H3,18,20,21,22,25);1-5,8H,6-7H2,(H,22,23)(H3,16,18,19,20,24);4-6H,7-8H2,1-3H3,(H,15,19)(H3,14,16,17,18);4H,2-3H2,1H3,(H4,10,11,13,14);1-3H,4-5,9H2,(H3,10,11,12,13);1H,(H5,6,7,8,9,10,11);1-3H,(H4,6,7,8)
InChIKeyADMKZRRBCOPFIG-UHFFFAOYSA-N
MW2765.90 g/mol
LogP7.83
Rot. Bonds42

About 3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine

3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine (PubChem CID 157080548) has the molecular formula C122H153N51O27 and a molecular weight of 2765.90 g/mol. Its IUPAC name is 3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine.

Molecular Properties

Compound Name3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine
PubChem CID157080548
Molecular FormulaC122H153N51O27
Molecular Weight2765.90 g/mol
Exact Mass2764.22
IUPAC Name3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine
SMILESCC(C)(C)OC(=O)NCCC(=O)Nc1cccc(N)n1.CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)nc(N)nc21.CCC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)nc(N)nc21.CCOC(=O)Cn1cnc2c(N)nc(N)nc21.CCOC(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)nc(N)nc21.NCCC(=O)Nc1cccc(N)n1.Nc1cccc(N)n1.Nc1nc(N)c2[nH]cnc2n1.Nc1nc(NC(=O)OCc2ccccc2)c2ncn(CC(=O)O)c2n1
InChIInChI=1S/C26H34N8O6.C24H30N8O7.C17H18N6O4.C15H14N6O4.C13H20N4O3.C9H12N6O2.C8H12N4O.C5H6N6.C5H7N3/c1-5-18(35)13-33(12-11-28-24(37)40-26(2,3)4)19(36)14-34-16-29-20-21(30-23(27)32-22(20)34)31-25(38)39-15-17-9-7-6-8-10-17;1-24(2,3)39-22(36)26-9-10-31(12-17(34)35)16(33)11-32-14-27-18-19(28-21(25)30-20(18)32)29-23(37)38-13-15-7-5-4-6-8-15;1-2-26-12(24)8-23-10-19-13-14(20-16(18)22-15(13)23)21-17(25)27-9-11-6-4-3-5-7-11;16-14-18-12(11-13(20-14)21(8-17-11)6-10(22)23)19-15(24)25-7-9-4-2-1-3-5-9;1-13(2,3)20-12(19)15-8-7-11(18)17-10-6-4-5-9(14)16-10;1-2-17-5(16)3-15-4-12-6-7(10)13-9(11)14-8(6)15;9-5-4-8(13)12-7-3-1-2-6(10)11-7;6-3-2-4(9-1-8-2)11-5(7)10-3;6-4-2-1-3-5(7)8-4/h6-10,16H,5,11-15H2,1-4H3,(H,28,37)(H3,27,30,31,32,38);4-8,14H,9-13H2,1-3H3,(H,26,36)(H,34,35)(H3,25,28,29,30,37);3-7,10H,2,8-9H2,1H3,(H3,18,20,21,22,25);1-5,8H,6-7H2,(H,22,23)(H3,16,18,19,20,24);4-6H,7-8H2,1-3H3,(H,15,19)(H3,14,16,17,18);4H,2-3H2,1H3,(H4,10,11,13,14);1-3H,4-5,9H2,(H3,10,11,12,13);1H,(H5,6,7,8,9,10,11);1-3H,(H4,6,7,8)
InChIKeyADMKZRRBCOPFIG-UHFFFAOYSA-N
XLogP7.83
TPSA1160.79 Ų
H-Bond Donors25
H-Bond Acceptors64
Rotatable Bonds42
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002765.90
LogP ≤ 57.83
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

(2s)-2-Benzyloxycarbonylamino-3-(6-(4-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-piperidin-1-yl)-purin-9-yl)-propionic acid tert-butyl ester
CID 11422135
tert-butyl (2S)-3-[6-[4-(1H-benzimidazol-2-ylamino)butylamino]purin-9-yl]-2-(phenylmethoxycarbonylamino)propanoate
CID 20720861
tert-butyl (2S)-2-[[3-[6-[4-(1H-benzimidazol-2-ylamino)butylamino]purin-9-yl]phenyl]methoxycarbonylamino]propanoate
CID 69902397
bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 157154717
2-[6-Anilino-2-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]purin-9-yl]acetic acid;2-[6-(benzylamino)-2-(pentylamino)purin-9-yl]acetic acid;2-[6-[benzyl(methyl)amino]-2-[(4-cyclohexylphenyl)methylamino]purin-9-yl]acetic acid;2-[6-morpholin-4-yl-2-(pentylamino)purin-9-yl]acetic acid
CID 157196134
2-[2-[[4-[10-amino-3-[[4-[[2-[carboxymethyl-[2-[6-oxo-2-(phenylmethoxycarbonylamino)-1H-purin-9-yl]acetyl]amino]ethylamino]methyl]phenyl]methyl]-2-[1-[4-[[2-[carboxymethyl-[2-[6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]amino]ethylamino]methyl]phenyl]propan-2-yl]decyl]phenyl]methylamino]ethyl-[2-[2-oxo-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetyl]amino]acetic acid;benzyl N-[9-[2-[3-methyl-15,21,27-trioxo-25-[2-[6-oxo-2-(phenylmethoxycarbonylamino)-1H-purin-9-yl]acetyl]-19-[2-[2-oxo-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetyl]-10,13,16,19,22,25,28-heptazahexacyclo[20.13.6.62,16.25,8.237,40.245,48]tripentaconta-5,7,37,39,42,45,47,50,52-nonaen-13-yl]-2-oxoethyl]purin-6-yl]carbamate
CID 157266363
8-(1-amino-2-hydroxyethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3,7-dimethylpurine-2,6-dione;tert-butyl 4-chloro-2-[[3,7-dimethyl-8-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyethyl]-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;tert-butyl 4-chloro-2-[[8-[2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3,7-dimethyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;ethyl acetate
CID 157464482
2-[6-anilino-2-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]purin-9-yl]acetic acid;2-[6-[benzyl(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]purin-9-yl]acetic acid;tert-butyl 2-amino-6-chloropurine-9-carboxylate;tert-butyl N-(6-chloro-7H-purin-2-yl)carbamate;2-[2-(pentylamino)-6-(propan-2-ylamino)purin-9-yl]acetic acid
CID 157468140
benzyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-3-methylpyrrolidin-3-yl]carbamate;1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-3-methylpyrrolidine-3-carboxylic acid;bis(1-[2-[3-(3-isocyanato-3-methylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one);methane
CID 157480474
benzyl (2S)-2-[2-[4-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-oxopiperazin-1-yl]-1H-imidazol-5-yl]pyrrolidine-1-carboxylate;methyl N-[(1R)-2-[(2S)-2-[5-[4-[4-[5-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-2-yl]-2-oxopiperazin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;(2R)-2-phenyl-1-[(2S)-2-[6-[4-[5-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;4-[5-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-2-yl]-1-[4-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperazin-2-one;4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]-1-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperazin-2-one
CID 157497308
CID 157498075
CID 157498075
2-[[2-[2-amino-6-[3-(phenylmethoxycarbonylamino)propylamino]purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-(3-bromopropyl)carbamate;ethyl 2-[[2-[2-amino-6-[3-(phenylmethoxycarbonylamino)propylamino]purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate;ethyl 2-[[2-(2,6-diaminopurin-9-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
CID 157504858

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine?
The IUPAC name of 3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine (CID 157080548) is 3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine.
What is the SMILES notation for 3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine?
The canonical SMILES for 3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine is CC(C)(C)OC(=O)NCCC(=O)Nc1cccc(N)n1.CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)nc(N)nc21.CCC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)nc(N)nc21.CCOC(=O)Cn1cnc2c(N)nc(N)nc21.CCOC(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)nc(N)nc21.NCCC(=O)Nc1cccc(N)n1.Nc1cccc(N)n1.Nc1nc(N)c2[nH]cnc2n1.Nc1nc(NC(=O)OCc2ccccc2)c2ncn(CC(=O)O)c2n1.
What is the InChIKey of 3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine?
The InChIKey is ADMKZRRBCOPFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O6.C24H30N8O7.C17H18N6O4.C15H14N6O4.C13H20N4O3.C9H12N6O2.C8H12N4O.C5H6N6.C5H7N3/c1-5-18(35)13-33(12-11-28-24(37)40-26(2,3)4)19(36)14-34-16-29-20-21(30-23(27)32-22(20)34)31-25(38)39-15-17-9-7-6-8-10-17;1-24(2,3)39-22(36)26-9-10-31(12-17(34)35)16(33)11-32-14-27-18-19(28-21(25)30-20(18)32)29-23(37)38-13-15-7-5-4-6-8-15;1-2-26-12(24)8-23-10-19-13-14(20-16(18)22-15(13)23)21-17(25)27-9-11-6-4-3-5-7-11;16-14-18-12(11-13(20-14)21(8-17-11)6-10(22)23)19-15(24)25-7-9-4-2-1-3-5-9;1-13(2,3)20-12(19)15-8-7-11(18)17-10-6-4-5-9(14)16-10;1-2-17-5(16)3-15-4-12-6-7(10)13-9(11)14-8(6)15;9-5-4-8(13)12-7-3-1-2-6(10)11-7;6-3-2-4(9-1-8-2)11-5(7)10-3;6-4-2-1-3-5(7)8-4/h6-10,16H,5,11-15H2,1-4H3,(H,28,37)(H3,27,30,31,32,38);4-8,14H,9-13H2,1-3H3,(H,26,36)(H,34,35)(H3,25,28,29,30,37);3-7,10H,2,8-9H2,1H3,(H3,18,20,21,22,25);1-5,8H,6-7H2,(H,22,23)(H3,16,18,19,20,24);4-6H,7-8H2,1-3H3,(H,15,19)(H3,14,16,17,18);4H,2-3H2,1H3,(H4,10,11,13,14);1-3H,4-5,9H2,(H3,10,11,12,13);1H,(H5,6,7,8,9,10,11);1-3H,(H4,6,7,8).
What are the key properties of 3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine?
3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine has a molecular weight of 2765.90 g/mol, XLogP of 7.83, 42 rotatable bonds, 25 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-amino-2-pyridinyl)propanamide;2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid;2-[[2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid;benzyl N-[2-amino-9-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxobutyl)amino]-2-oxoethyl]purin-6-yl]carbamate;tert-butyl N-[3-[(6-amino-2-pyridinyl)amino]-3-oxopropyl]carbamate;ethyl 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetate;ethyl 2-(2,6-diaminopurin-9-yl)acetate;7H-purine-2,6-diamine;pyridine-2,6-diamine is sourced from PubChem (CID 157080548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).