6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine

C71H106Br2N24O8 — CID 158140234

About 6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine

6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine (PubChem CID 158140234) has the molecular formula C71H106Br2N24O8 and a molecular weight of 1583.60 g/mol. Its IUPAC name is 6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine.

Molecular Properties

• Compound Name: 6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine
• PubChem CID: 158140234
• Molecular Formula: C71H106Br2N24O8
• Molecular Weight: 1583.60 g/mol
• Exact Mass: 1580.70
• IUPAC Name: 6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine
• SMILES: CCCCOc1nc(N)c2[nH]c(=O)n(CCCBr)c2n1.CCCCOc1nc(N)c2[nH]c(=O)n(CCCN3CCN(Cc4ccc(C)cc4)CC3)c2n1.CCCCOc1nc(N)c2[nH]c(OC)nc2n1.CCCCOc1nc(N)c2nc(OC)n(CCCBr)c2n1.Cc1ccc(CN2CCNCC2)cc1
• InChI: InChI=1S/C24H35N7O2.C13H20BrN5O2.C12H18BrN5O2.C12H18N2.C10H15N5O2/c1-3-4-16-33-23-27-21(25)20-22(28-23)31(24(32)26-20)11-5-10-29-12-14-30(15-13-29)17-19-8-6-18(2)7-9-19;1-3-4-8-21-12-17-10(15)9-11(18-12)19(7-5-6-14)13(16-9)20-2;1-2-3-7-20-11-16-9(14)8-10(17-11)18(6-4-5-13)12(19)15-8;1-11-2-4-12(5-3-11)10-14-8-6-13-7-9-14;1-3-4-5-17-10-13-7(11)6-8(15-10)14-9(12-6)16-2/h6-9H,3-5,10-17H2,1-2H3,(H,26,32)(H2,25,27,28);3-8H2,1-2H3,(H2,15,17,18);2-7H2,1H3,(H,15,19)(H2,14,16,17);2-5,13H,6-10H2,1H3;3-5H2,1-2H3,(H3,11,12,13,14,15)
• InChIKey: FTVPAEYKDDMRNG-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 406.41 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1583.60
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine?

The IUPAC name of 6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine (CID 158140234) is 6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine.

What is the SMILES notation for 6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine?

The canonical SMILES for 6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine is CCCCOc1nc(N)c2[nH]c(=O)n(CCCBr)c2n1.CCCCOc1nc(N)c2[nH]c(=O)n(CCCN3CCN(Cc4ccc(C)cc4)CC3)c2n1.CCCCOc1nc(N)c2[nH]c(OC)nc2n1.CCCCOc1nc(N)c2nc(OC)n(CCCBr)c2n1.Cc1ccc(CN2CCNCC2)cc1.

What is the InChIKey of 6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine?

The InChIKey is FTVPAEYKDDMRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O2.C13H20BrN5O2.C12H18BrN5O2.C12H18N2.C10H15N5O2/c1-3-4-16-33-23-27-21(25)20-22(28-23)31(24(32)26-20)11-5-10-29-12-14-30(15-13-29)17-19-8-6-18(2)7-9-19;1-3-4-8-21-12-17-10(15)9-11(18-12)19(7-5-6-14)13(16-9)20-2;1-2-3-7-20-11-16-9(14)8-10(17-11)18(6-4-5-13)12(19)15-8;1-11-2-4-12(5-3-11)10-14-8-6-13-7-9-14;1-3-4-5-17-10-13-7(11)6-8(15-10)14-9(12-6)16-2/h6-9H,3-5,10-17H2,1-2H3,(H,26,32)(H2,25,27,28);3-8H2,1-2H3,(H2,15,17,18);2-7H2,1H3,(H,15,19)(H2,14,16,17);2-5,13H,6-10H2,1H3;3-5H2,1-2H3,(H3,11,12,13,14,15).

What are the key properties of 6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine?

6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine has a molecular weight of 1583.60 g/mol, XLogP of 8.97, 32 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 158140234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).