6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine

C12H19N5O2 — CID 114786789

IUPAC6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine
SMILESCCCCOCCOc1nc(NC)nc2nc[nH]c12
InChIInChI=1S/C12H19N5O2/c1-3-4-5-18-6-7-19-11-9-10(15-8-14-9)16-12(13-2)17-11/h8H,3-7H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyJYOPDMWOPPLEEQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.59
Rot. Bonds8

About 6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine

6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine (PubChem CID 114786789) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine
PubChem CID114786789
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine
SMILESCCCCOCCOc1nc(NC)nc2nc[nH]c12
InChIInChI=1S/C12H19N5O2/c1-3-4-5-18-6-7-19-11-9-10(15-8-14-9)16-12(13-2)17-11/h8H,3-7H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyJYOPDMWOPPLEEQ-UHFFFAOYSA-N
XLogP1.59
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine
CID 106207558
N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine
CID 114787552
6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine
CID 114786939
N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine
CID 114787620
N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine
CID 114786807
6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114786369
6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine
CID 106207536
N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine
CID 114787546
2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine
CID 104787050
6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine
CID 114787500
N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine
CID 114788091
N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine
CID 114787729

Frequently Asked Questions

What is the IUPAC name of 6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine?
The IUPAC name of 6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine (CID 114786789) is 6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine.
What is the SMILES notation for 6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine?
The canonical SMILES for 6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine is CCCCOCCOc1nc(NC)nc2nc[nH]c12.
What is the InChIKey of 6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine?
The InChIKey is JYOPDMWOPPLEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-4-5-18-6-7-19-11-9-10(15-8-14-9)16-12(13-2)17-11/h8H,3-7H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine?
6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine is sourced from PubChem (CID 114786789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).