N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;methane;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine

C140H158N70O3 — CID 159088810

About N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;methane;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine

N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;methane;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine (PubChem CID 159088810) has the molecular formula C140H158N70O3 and a molecular weight of 2869.29 g/mol. Its IUPAC name is N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;methane;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine.

Molecular Properties

• Compound Name: N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;methane;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine
• PubChem CID: 159088810
• Molecular Formula: C140H158N70O3
• Molecular Weight: 2869.29 g/mol
• Exact Mass: 2867.44
• IUPAC Name: N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;methane;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine
• SMILES: C.C/C=C/CNc1ncnc2nc[nH]c12.CC(C)=CCNc1ncnc2nc[nH]c12.CC/C(C)=C\CNc1ncnc2nc[nH]c12.CCCCNc1ncnc2nc[nH]c12.Cc1cccc(CNc2ncnc3nc[nH]c23)c1.c1cc(CNc2ncnc3nc[nH]c23)ccn1.c1cc(CNc2ncnc3nc[nH]c23)ncn1.c1ccc(CCNc2ncnc3nc[nH]c23)cc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1cnc(CNc2ncnc3nc[nH]c23)cn1.c1coc(CNc2ncnc3nc[nH]c23)c1.c1nc(NCC2CCCCO2)c2[nH]cnc2n1.c1nc(NCC2CCCO2)c2[nH]cnc2n1
• InChI: InChI=1S/2C13H13N5.C12H11N5.C11H10N6.C11H15N5O.C11H15N5.2C10H9N7.C10H13N5O.C10H9N5O.C10H13N5.C9H13N5.C9H11N5.CH4/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;1-3-12-4-2-8(1)5-13-10-9-11(15-6-14-9)17-7-16-10;1-2-4-17-8(3-1)5-12-10-9-11(14-6-13-9)16-7-15-10;1-3-8(2)4-5-12-10-9-11(14-6-13-9)16-7-15-10;1-2-12-7(3-11-1)4-13-9-8-10(15-5-14-8)17-6-16-9;1-2-11-4-13-7(1)3-12-9-8-10(15-5-14-8)17-6-16-9;2*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;2*1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8;/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);1-4,6-7H,5H2,(H2,13,14,15,16,17);6-8H,1-5H2,(H2,12,13,14,15,16);4,6-7H,3,5H2,1-2H3,(H2,12,13,14,15,16);1-3,5-6H,4H2,(H2,13,14,15,16,17);1-2,4-6H,3H2,(H2,12,14,15,16,17);5-7H,1-4H2,(H2,11,12,13,14,15);1-3,5-6H,4H2,(H2,11,12,13,14,15);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15);5-6H,2-4H2,1H3,(H2,10,11,12,13,14);2-3,5-6H,4H2,1H3,(H2,10,11,12,13,14);1H4/b;;;;;8-4-;;;;;;;3-2+
• InChIKey: KBUHFTVGEITQKW-QENYKZKTSA-N
• XLogP: 20.35
• TPSA: 960.42 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 60
• Rotatable Bonds: 42
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2869.29
LogP ≤ 5	20.35
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;methane;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine?

The IUPAC name of N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;methane;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine (CID 159088810) is N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;methane;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine.

What is the SMILES notation for N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;methane;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine?

The canonical SMILES for N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;methane;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine is C.C/C=C/CNc1ncnc2nc[nH]c12.CC(C)=CCNc1ncnc2nc[nH]c12.CC/C(C)=C\CNc1ncnc2nc[nH]c12.CCCCNc1ncnc2nc[nH]c12.Cc1cccc(CNc2ncnc3nc[nH]c23)c1.c1cc(CNc2ncnc3nc[nH]c23)ccn1.c1cc(CNc2ncnc3nc[nH]c23)ncn1.c1ccc(CCNc2ncnc3nc[nH]c23)cc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1cnc(CNc2ncnc3nc[nH]c23)cn1.c1coc(CNc2ncnc3nc[nH]c23)c1.c1nc(NCC2CCCCO2)c2[nH]cnc2n1.c1nc(NCC2CCCO2)c2[nH]cnc2n1.

What is the InChIKey of N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;methane;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine?

The InChIKey is KBUHFTVGEITQKW-QENYKZKTSA-N. The full InChI is InChI=1S/2C13H13N5.C12H11N5.C11H10N6.C11H15N5O.C11H15N5.2C10H9N7.C10H13N5O.C10H9N5O.C10H13N5.C9H13N5.C9H11N5.CH4/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;1-3-12-4-2-8(1)5-13-10-9-11(15-6-14-9)17-7-16-10;1-2-4-17-8(3-1)5-12-10-9-11(14-6-13-9)16-7-15-10;1-3-8(2)4-5-12-10-9-11(14-6-13-9)16-7-15-10;1-2-12-7(3-11-1)4-13-9-8-10(15-5-14-8)17-6-16-9;1-2-11-4-13-7(1)3-12-9-8-10(15-5-14-8)17-6-16-9;2*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;2*1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8;/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);1-4,6-7H,5H2,(H2,13,14,15,16,17);6-8H,1-5H2,(H2,12,13,14,15,16);4,6-7H,3,5H2,1-2H3,(H2,12,13,14,15,16);1-3,5-6H,4H2,(H2,13,14,15,16,17);1-2,4-6H,3H2,(H2,12,14,15,16,17);5-7H,1-4H2,(H2,11,12,13,14,15);1-3,5-6H,4H2,(H2,11,12,13,14,15);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15);5-6H,2-4H2,1H3,(H2,10,11,12,13,14);2-3,5-6H,4H2,1H3,(H2,10,11,12,13,14);1H4/b;;;;;8-4-;;;;;;;3-2+;.

What are the key properties of N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;methane;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine?

N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;methane;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine has a molecular weight of 2869.29 g/mol, XLogP of 20.35, 42 rotatable bonds, 26 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;methane;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 159088810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).