N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine

C58H59N25O — CID 157489642

IUPACN-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine
SMILESCC(C)=CCNc1ncnc2nc[nH]c12.Cc1cccc(CNc2ncnc3nc[nH]c23)c1.c1ccc(CCNc2ncnc3nc[nH]c23)cc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1coc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/2C13H13N5.C12H11N5.C10H9N5O.C10H13N5/c1-9-3-2-4-10(5-9)6-14-12-11-13(16-7-15-11)18-8-17-12;1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18);1-5,8-9H,6-7H2,(H2,14,15,16,17,18);1-5,7-8H,6H2,(H2,13,14,15,16,17);1-3,5-6H,4H2,(H2,11,12,13,14,15);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyBXCSDHQBXFBWGM-UHFFFAOYSA-N
MW1122.28 g/mol
LogP9.53
Rot. Bonds16

About N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine

N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine (PubChem CID 157489642) has the molecular formula C58H59N25O and a molecular weight of 1122.28 g/mol. Its IUPAC name is N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine
PubChem CID157489642
Molecular FormulaC58H59N25O
Molecular Weight1122.28 g/mol
Exact Mass1121.53
IUPAC NameN-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine
SMILESCC(C)=CCNc1ncnc2nc[nH]c12.Cc1cccc(CNc2ncnc3nc[nH]c23)c1.c1ccc(CCNc2ncnc3nc[nH]c23)cc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1coc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/2C13H13N5.C12H11N5.C10H9N5O.C10H13N5/c1-9-3-2-4-10(5-9)6-14-12-11-13(16-7-15-11)18-8-17-12;1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18);1-5,8-9H,6-7H2,(H2,14,15,16,17,18);1-5,7-8H,6H2,(H2,13,14,15,16,17);1-3,5-6H,4H2,(H2,11,12,13,14,15);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyBXCSDHQBXFBWGM-UHFFFAOYSA-N
XLogP9.53
TPSA345.59 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001122.28
LogP ≤ 59.53
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine
CID 159230109
N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 159984627
N-(furan-2-ylmethyl)-2-phenyl-7H-purin-6-amine;3-[(7H-purin-6-ylamino)methyl]benzoic acid;N-(2-pyridin-3-ylethyl)-7H-purin-6-amine;N-[[4-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 162055386
6-benzylpurin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 17913838
CID 19706488
CID 19706488
N-benzyl-9-[6-(furan-2-ylmethylamino)purin-9-yl]purin-6-amine
CID 57171367
N-(furan-2-ylmethyl)-9-tritylpurin-6-amine
CID 66589734
N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 67129069
N-benzyl-7H-purin-2-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 67798334
N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine
CID 67926018
1-(furan-2-ylmethyl)-3-[3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)-N-(pyridin-3-ylmethylcarbamoyl)anilino]urea
CID 91603103
N-(furan-2-ylmethyl)-2-phenyl-7H-purin-6-amine
CID 117628962

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine?
The IUPAC name of N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine (CID 157489642) is N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine.
What is the SMILES notation for N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine?
The canonical SMILES for N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine is CC(C)=CCNc1ncnc2nc[nH]c12.Cc1cccc(CNc2ncnc3nc[nH]c23)c1.c1ccc(CCNc2ncnc3nc[nH]c23)cc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1coc(CNc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine?
The InChIKey is BXCSDHQBXFBWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H13N5.C12H11N5.C10H9N5O.C10H13N5/c1-9-3-2-4-10(5-9)6-14-12-11-13(16-7-15-11)18-8-17-12;1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18);1-5,8-9H,6-7H2,(H2,14,15,16,17,18);1-5,7-8H,6H2,(H2,13,14,15,16,17);1-3,5-6H,4H2,(H2,11,12,13,14,15);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine?
N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine has a molecular weight of 1122.28 g/mol, XLogP of 9.53, 16 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine is sourced from PubChem (CID 157489642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).