2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine

C65H105N35O15 — CID 160565317

IUPAC2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine
SMILESCC(C)(C)OC(=O)NCNc1nc(N)c2[nH]cnc2n1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)Cn1cnc2c(N)nc(NCNC(=O)OC(C)(C)C)nc21.CCOC(=O)Cn1cnc2c(NC)nc(NCNC(=O)OC(C)(C)C)nc21.Cc1nc(N)c2[nH]cnc2n1.NCN.NCNc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C16H25N7O4.C15H23N7O4.C11H17N7O2.C10H18O5.C6H9N7.C6H7N5.CH6N2/c1-6-26-10(24)7-23-9-20-11-12(17-5)21-14(22-13(11)23)18-8-19-15(25)27-16(2,3)4;1-5-25-9(23)6-22-8-19-10-11(16)20-13(21-12(10)22)17-7-18-14(24)26-15(2,3)4;1-11(2,3)20-10(19)16-5-15-9-17-7(12)6-8(18-9)14-4-13-6;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;7-1-9-6-12-4(8)3-5(13-6)11-2-10-3;1-3-10-5(7)4-6(11-3)9-2-8-4;2-1-3/h9H,6-8H2,1-5H3,(H,19,25)(H2,17,18,21,22);8H,5-7H2,1-4H3,(H,18,24)(H3,16,17,20,21);4H,5H2,1-3H3,(H,16,19)(H4,12,13,14,15,17,18);1-6H3;2H,1,7H2,(H4,8,9,10,11,12,13);2H,1H3,(H3,7,8,9,10,11);1-3H2
InChIKeyQZVQEDRYFUAERG-UHFFFAOYSA-N
MW1616.78 g/mol
LogP4.26
Rot. Bonds18

About 2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine

2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine (PubChem CID 160565317) has the molecular formula C65H105N35O15 and a molecular weight of 1616.78 g/mol. Its IUPAC name is 2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine
PubChem CID160565317
Molecular FormulaC65H105N35O15
Molecular Weight1616.78 g/mol
Exact Mass1615.85
IUPAC Name2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine
SMILESCC(C)(C)OC(=O)NCNc1nc(N)c2[nH]cnc2n1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)Cn1cnc2c(N)nc(NCNC(=O)OC(C)(C)C)nc21.CCOC(=O)Cn1cnc2c(NC)nc(NCNC(=O)OC(C)(C)C)nc21.Cc1nc(N)c2[nH]cnc2n1.NCN.NCNc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C16H25N7O4.C15H23N7O4.C11H17N7O2.C10H18O5.C6H9N7.C6H7N5.CH6N2/c1-6-26-10(24)7-23-9-20-11-12(17-5)21-14(22-13(11)23)18-8-19-15(25)27-16(2,3)4;1-5-25-9(23)6-22-8-19-10-11(16)20-13(21-12(10)22)17-7-18-14(24)26-15(2,3)4;1-11(2,3)20-10(19)16-5-15-9-17-7(12)6-8(18-9)14-4-13-6;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;7-1-9-6-12-4(8)3-5(13-6)11-2-10-3;1-3-10-5(7)4-6(11-3)9-2-8-4;2-1-3/h9H,6-8H2,1-5H3,(H,19,25)(H2,17,18,21,22);8H,5-7H2,1-4H3,(H,18,24)(H3,16,17,20,21);4H,5H2,1-3H3,(H,16,19)(H4,12,13,14,15,17,18);1-6H3;2H,1,7H2,(H4,8,9,10,11,12,13);2H,1H3,(H3,7,8,9,10,11);1-3H2
InChIKeyQZVQEDRYFUAERG-UHFFFAOYSA-N
XLogP4.26
TPSA722.29 Ų
H-Bond Donors18
H-Bond Acceptors44
Rotatable Bonds18
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001616.78
LogP ≤ 54.26
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine?
The IUPAC name of 2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine (CID 160565317) is 2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine.
What is the SMILES notation for 2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine?
The canonical SMILES for 2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine is CC(C)(C)OC(=O)NCNc1nc(N)c2[nH]cnc2n1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)Cn1cnc2c(N)nc(NCNC(=O)OC(C)(C)C)nc21.CCOC(=O)Cn1cnc2c(NC)nc(NCNC(=O)OC(C)(C)C)nc21.Cc1nc(N)c2[nH]cnc2n1.NCN.NCNc1nc(N)c2[nH]cnc2n1.
What is the InChIKey of 2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine?
The InChIKey is QZVQEDRYFUAERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O4.C15H23N7O4.C11H17N7O2.C10H18O5.C6H9N7.C6H7N5.CH6N2/c1-6-26-10(24)7-23-9-20-11-12(17-5)21-14(22-13(11)23)18-8-19-15(25)27-16(2,3)4;1-5-25-9(23)6-22-8-19-10-11(16)20-13(21-12(10)22)17-7-18-14(24)26-15(2,3)4;1-11(2,3)20-10(19)16-5-15-9-17-7(12)6-8(18-9)14-4-13-6;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;7-1-9-6-12-4(8)3-5(13-6)11-2-10-3;1-3-10-5(7)4-6(11-3)9-2-8-4;2-1-3/h9H,6-8H2,1-5H3,(H,19,25)(H2,17,18,21,22);8H,5-7H2,1-4H3,(H,18,24)(H3,16,17,20,21);4H,5H2,1-3H3,(H,16,19)(H4,12,13,14,15,17,18);1-6H3;2H,1,7H2,(H4,8,9,10,11,12,13);2H,1H3,(H3,7,8,9,10,11);1-3H2.
What are the key properties of 2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine?
2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine has a molecular weight of 1616.78 g/mol, XLogP of 4.26, 18 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(aminomethyl)-7H-purine-2,6-diamine;tert-butyl N-[[(6-amino-7H-purin-2-yl)amino]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 2-[6-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;ethyl 2-[6-(methylamino)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylamino]purin-9-yl]acetate;methanediamine;2-methyl-7H-purin-6-amine is sourced from PubChem (CID 160565317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).