N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine

C50H61N25 — CID 159091389

IUPACN-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine
SMILESCC(C)=CCNc1ncnc2nc[nH]c12.CC/C(C)=C/CNc1ncnc2nc[nH]c12.CC/C(C)=C\CNc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.c1ccc(CCNc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C13H13N5.2C11H15N5.C10H13N5.C5H5N5/c1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12;2*1-3-8(2)4-5-12-10-9-11(14-6-13-9)16-7-15-10;1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9;6-4-3-5(9-1-7-3)10-2-8-4/h1-5,8-9H,6-7H2,(H2,14,15,16,17,18);2*4,6-7H,3,5H2,1-2H3,(H2,12,13,14,15,16);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15);1-2H,(H3,6,7,8,9,10)/b;8-4+;8-4-;;
InChIKeyKCCIOYPJNOMGJM-NPWUSIKPSA-N
MW1012.21 g/mol
LogP7.92
Rot. Bonds15

About N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine

N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine (PubChem CID 159091389) has the molecular formula C50H61N25 and a molecular weight of 1012.21 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine
PubChem CID159091389
Molecular FormulaC50H61N25
Molecular Weight1012.21 g/mol
Exact Mass1011.55
IUPAC NameN-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine
SMILESCC(C)=CCNc1ncnc2nc[nH]c12.CC/C(C)=C/CNc1ncnc2nc[nH]c12.CC/C(C)=C\CNc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.c1ccc(CCNc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C13H13N5.2C11H15N5.C10H13N5.C5H5N5/c1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12;2*1-3-8(2)4-5-12-10-9-11(14-6-13-9)16-7-15-10;1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9;6-4-3-5(9-1-7-3)10-2-8-4/h1-5,8-9H,6-7H2,(H2,14,15,16,17,18);2*4,6-7H,3,5H2,1-2H3,(H2,12,13,14,15,16);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15);1-2H,(H3,6,7,8,9,10)/b;8-4+;8-4-;;
InChIKeyKCCIOYPJNOMGJM-NPWUSIKPSA-N
XLogP7.92
TPSA346.44 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001012.21
LogP ≤ 57.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol
CID 15419
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113
(E)-1,1-dideuterio-4-(7H-purin-6-ylamino)-2-(trideuteriomethyl)but-2-en-1-ol
CID 131884164
N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 756726
4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide
CID 519855
N-(2-benzylsulfanylethyl)-7H-purin-6-amine
CID 47174477
2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
CID 142654616
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069
N-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine
CID 142506227
(E)-2-propan-2-yl-4-(7H-purin-6-ylamino)but-2-en-1-ol
CID 10634231
methanol;7H-purin-6-amine
CID 67194832
3-(2-phenylethylamino)-N-(7H-purin-6-yl)propanamide;dihydrochloride
CID 67008624

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine (CID 159091389) is N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine is CC(C)=CCNc1ncnc2nc[nH]c12.CC/C(C)=C/CNc1ncnc2nc[nH]c12.CC/C(C)=C\CNc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.c1ccc(CCNc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine?
The InChIKey is KCCIOYPJNOMGJM-NPWUSIKPSA-N. The full InChI is InChI=1S/C13H13N5.2C11H15N5.C10H13N5.C5H5N5/c1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12;2*1-3-8(2)4-5-12-10-9-11(14-6-13-9)16-7-15-10;1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9;6-4-3-5(9-1-7-3)10-2-8-4/h1-5,8-9H,6-7H2,(H2,14,15,16,17,18);2*4,6-7H,3,5H2,1-2H3,(H2,12,13,14,15,16);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15);1-2H,(H3,6,7,8,9,10)/b;8-4+;8-4-;;.
What are the key properties of N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine?
N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine has a molecular weight of 1012.21 g/mol, XLogP of 7.92, 15 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine is sourced from PubChem (CID 159091389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).