2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine

C83H102N38O6 — CID 158353089

IUPAC2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine
SMILESCCCCC(CC)COCCOc1nc(N)nc2nc[nH]c12.CCCCNc1nc2nc[nH]c2c(=O)[nH]1.CCOCCCNc1nc(N)nc2nc[nH]c12.Nc1nc(NCCc2ccccc2)c2[nH]cnc2n1.Nc1nc(NCc2ccccc2)c2[nH]cnc2n1.Nc1nc(OCc2ccccc2)c2[nH]cnc2n1.O=c1[nH]c(NCc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C15H25N5O2.C13H14N6.C12H12N6.2C12H11N5O.C10H16N6O.C9H13N5O/c1-3-5-6-11(4-2)9-21-7-8-22-14-12-13(18-10-17-12)19-15(16)20-14;14-13-18-11(10-12(19-13)17-8-16-10)15-7-6-9-4-2-1-3-5-9;13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8;13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8;18-11-9-10(15-7-14-9)16-12(17-11)13-6-8-4-2-1-3-5-8;1-2-17-5-3-4-12-8-7-9(14-6-13-7)16-10(11)15-8;1-2-3-4-10-9-13-7-6(8(15)14-9)11-5-12-7/h10-11H,3-9H2,1-2H3,(H3,16,17,18,19,20);1-5,8H,6-7H2,(H4,14,15,16,17,18,19);1-5,7H,6H2,(H4,13,14,15,16,17,18);1-5,7H,6H2,(H3,13,14,15,16,17);1-5,7H,6H2,(H3,13,14,15,16,17,18);6H,2-5H2,1H3,(H4,11,12,13,14,15,16);5H,2-4H2,1H3,(H3,10,11,12,13,14,15)
InChIKeyGSOBETAJCPZRQV-UHFFFAOYSA-N
MW1727.99 g/mol
LogP10.09
Rot. Bonds33

About 2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine

2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine (PubChem CID 158353089) has the molecular formula C83H102N38O6 and a molecular weight of 1727.99 g/mol. Its IUPAC name is 2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine.

Molecular Properties

Compound Name2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine
PubChem CID158353089
Molecular FormulaC83H102N38O6
Molecular Weight1727.99 g/mol
Exact Mass1726.88
IUPAC Name2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine
SMILESCCCCC(CC)COCCOc1nc(N)nc2nc[nH]c12.CCCCNc1nc2nc[nH]c2c(=O)[nH]1.CCOCCCNc1nc(N)nc2nc[nH]c12.Nc1nc(NCCc2ccccc2)c2[nH]cnc2n1.Nc1nc(NCc2ccccc2)c2[nH]cnc2n1.Nc1nc(OCc2ccccc2)c2[nH]cnc2n1.O=c1[nH]c(NCc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C15H25N5O2.C13H14N6.C12H12N6.2C12H11N5O.C10H16N6O.C9H13N5O/c1-3-5-6-11(4-2)9-21-7-8-22-14-12-13(18-10-17-12)19-15(16)20-14;14-13-18-11(10-12(19-13)17-8-16-10)15-7-6-9-4-2-1-3-5-9;13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8;13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8;18-11-9-10(15-7-14-9)16-12(17-11)13-6-8-4-2-1-3-5-8;1-2-17-5-3-4-12-8-7-9(14-6-13-7)16-10(11)15-8;1-2-3-4-10-9-13-7-6(8(15)14-9)11-5-12-7/h10-11H,3-9H2,1-2H3,(H3,16,17,18,19,20);1-5,8H,6-7H2,(H4,14,15,16,17,18,19);1-5,7H,6H2,(H4,13,14,15,16,17,18);1-5,7H,6H2,(H3,13,14,15,16,17);1-5,7H,6H2,(H3,13,14,15,16,17,18);6H,2-5H2,1H3,(H4,11,12,13,14,15,16);5H,2-4H2,1H3,(H3,10,11,12,13,14,15)
InChIKeyGSOBETAJCPZRQV-UHFFFAOYSA-N
XLogP10.09
TPSA648.33 Ų
H-Bond Donors19
H-Bond Acceptors35
Rotatable Bonds33
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001727.99
LogP ≤ 510.09
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine with MolForge

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Related Compounds

N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol
CID 159372574
N,N'-bis[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[3-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-4-[2-[2-[2-[2-(hexanoylamino)ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]heptanediamide
CID 88984639
4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]-N,N'-bis[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[3-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]heptanediamide
CID 88984679
9-(4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl)-2-[3-[benzyl-[2-[benzyl-[2-[benzyl-[2-(benzylamino)ethyl]amino]ethyl]amino]ethyl]amino]propylamino]-1H-purin-6-one;N-[9-(4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl)-6-phenylmethoxypurin-2-yl]-N'-benzyl-N'-[2-[benzyl-[2-[benzyl(4-phenylbutyl)amino]ethyl]amino]ethyl]propane-1,3-diamine;5-[2-[3-[benzyl-[2-[benzyl-[2-[benzyl(4-phenylbutyl)amino]ethyl]amino]ethyl]amino]propylamino]-6-phenylmethoxypurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 136041419
N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide
CID 157053927
N-benzyl-9-tert-butylpurin-6-amine;9-tert-butyl-6-ethoxy-2-methylpurine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;3-tert-butyl-6H-imidazo[4,5-b]pyridin-7-one;9-tert-butyl-2-methyl-1H-purin-6-one;9-tert-butylpurine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine
CID 157208238
6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate
CID 157337181
N-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine
CID 157471277
N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-(2-ethylhexoxy)-7H-purine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(2-methylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;N-(7H-purin-6-yl)benzamide
CID 157753151
2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;4-tert-butyl-N-(4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-2-yl)benzamide;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-(2-phenoxyethoxy)-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine
CID 158000679
2-phenyl-3-propan-2-ylpyridine;2-phenyl-5-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;3-phenyl-2-propan-2-ylpyridine;3-phenyl-5-propan-2-ylpyridine;4-phenyl-2-propan-2-ylpyridine;4-phenyl-3-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylfuro[2,3-b]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
CID 158232279
N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(2-methylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide
CID 158384609

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine?
The IUPAC name of 2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine (CID 158353089) is 2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine.
What is the SMILES notation for 2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine?
The canonical SMILES for 2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine is CCCCC(CC)COCCOc1nc(N)nc2nc[nH]c12.CCCCNc1nc2nc[nH]c2c(=O)[nH]1.CCOCCCNc1nc(N)nc2nc[nH]c12.Nc1nc(NCCc2ccccc2)c2[nH]cnc2n1.Nc1nc(NCc2ccccc2)c2[nH]cnc2n1.Nc1nc(OCc2ccccc2)c2[nH]cnc2n1.O=c1[nH]c(NCc2ccccc2)nc2nc[nH]c12.
What is the InChIKey of 2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine?
The InChIKey is GSOBETAJCPZRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2.C13H14N6.C12H12N6.2C12H11N5O.C10H16N6O.C9H13N5O/c1-3-5-6-11(4-2)9-21-7-8-22-14-12-13(18-10-17-12)19-15(16)20-14;14-13-18-11(10-12(19-13)17-8-16-10)15-7-6-9-4-2-1-3-5-9;13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8;13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8;18-11-9-10(15-7-14-9)16-12(17-11)13-6-8-4-2-1-3-5-8;1-2-17-5-3-4-12-8-7-9(14-6-13-7)16-10(11)15-8;1-2-3-4-10-9-13-7-6(8(15)14-9)11-5-12-7/h10-11H,3-9H2,1-2H3,(H3,16,17,18,19,20);1-5,8H,6-7H2,(H4,14,15,16,17,18,19);1-5,7H,6H2,(H4,13,14,15,16,17,18);1-5,7H,6H2,(H3,13,14,15,16,17);1-5,7H,6H2,(H3,13,14,15,16,17,18);6H,2-5H2,1H3,(H4,11,12,13,14,15,16);5H,2-4H2,1H3,(H3,10,11,12,13,14,15).
What are the key properties of 2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine?
2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine has a molecular weight of 1727.99 g/mol, XLogP of 10.09, 33 rotatable bonds, 19 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1,7-dihydropurin-6-one;6-N-benzyl-7H-purine-2,6-diamine;2-(butylamino)-1,7-dihydropurin-6-one;6-N-(3-ethoxypropyl)-7H-purine-2,6-diamine;6-[2-(2-ethylhexoxy)ethoxy]-7H-purin-2-amine;6-N-(2-phenylethyl)-7H-purine-2,6-diamine;6-phenylmethoxy-7H-purin-2-amine is sourced from PubChem (CID 158353089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).