9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine

C12H19N5O2 — CID 164882038

IUPAC9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine
SMILESCNc1ncnc2c1ncn2CCC(COC)OC
InChIInChI=1S/C12H19N5O2/c1-13-11-10-12(15-7-14-11)17(8-16-10)5-4-9(19-3)6-18-2/h7-9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyLGPGIQQJIMWWQX-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.92
Rot. Bonds7

About 9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine

9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine (PubChem CID 164882038) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine.

Molecular Properties

Compound Name9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine
PubChem CID164882038
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine
SMILESCNc1ncnc2c1ncn2CCC(COC)OC
InChIInChI=1S/C12H19N5O2/c1-13-11-10-12(15-7-14-11)17(8-16-10)5-4-9(19-3)6-18-2/h7-9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyLGPGIQQJIMWWQX-UHFFFAOYSA-N
XLogP0.92
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9-ethyl-N-methylpurin-6-amine
CID 23389288
N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine
CID 144572072
[(3R)-3-[diethoxyphosphoryl(difluoro)methyl]-5-[6-(methylamino)purin-9-yl]pentyl] diethyl phosphate
CID 101272330
N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide
CID 155799343
propan-2-yl (2S)-2-[[[3-methyl-2-[2-[6-(methylamino)purin-9-yl]ethyl]butoxy]-phenoxyphosphanyl]amino]propanoate
CID 166877392
N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine
CID 155799084
N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine
CID 155799369
9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 57195073
dimethyl 2-[2-[2-chloro-6-(methylamino)purin-9-yl]ethyl]propanedioate
CID 10641015
N-methyl-9-tetradecan-7-ylpurin-6-amine
CID 154963905
9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine
CID 12994167
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine?
The IUPAC name of 9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine (CID 164882038) is 9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine.
What is the SMILES notation for 9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine?
The canonical SMILES for 9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine is CNc1ncnc2c1ncn2CCC(COC)OC.
What is the InChIKey of 9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine?
The InChIKey is LGPGIQQJIMWWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-13-11-10-12(15-7-14-11)17(8-16-10)5-4-9(19-3)6-18-2/h7-9H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine?
9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine has a molecular weight of 265.32 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethoxybutyl)-N-methylpurin-6-amine is sourced from PubChem (CID 164882038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).