N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine

C13H21N5O — CID 114786807

IUPACN-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine
SMILESCCNc1nc(OCCCC(C)C)c2[nH]cnc2n1
InChIInChI=1S/C13H21N5O/c1-4-14-13-17-11-10(15-8-16-11)12(18-13)19-7-5-6-9(2)3/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyGTHREFBVZNNZLW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.60
Rot. Bonds7

About N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine

N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine (PubChem CID 114786807) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine
PubChem CID114786807
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine
SMILESCCNc1nc(OCCCC(C)C)c2[nH]cnc2n1
InChIInChI=1S/C13H21N5O/c1-4-14-13-17-11-10(15-8-16-11)12(18-13)19-7-5-6-9(2)3/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyGTHREFBVZNNZLW-UHFFFAOYSA-N
XLogP2.60
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine
CID 114787500
N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine
CID 114786811
6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine
CID 114786789
6-propan-2-yloxy-N-propyl-7H-purin-2-amine
CID 114786891
N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine
CID 114787606
N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine
CID 114787286
2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 114783752
6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine
CID 106207536
N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine
CID 114787552
6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114787415
N-ethyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine
CID 114786879
6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine
CID 114788027

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine?
The IUPAC name of N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine (CID 114786807) is N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine.
What is the SMILES notation for N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine?
The canonical SMILES for N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine is CCNc1nc(OCCCC(C)C)c2[nH]cnc2n1.
What is the InChIKey of N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine?
The InChIKey is GTHREFBVZNNZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-14-13-17-11-10(15-8-16-11)12(18-13)19-7-5-6-9(2)3/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine?
N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine is sourced from PubChem (CID 114786807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).