N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine

C12H19N5O — CID 114786811

IUPACN-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine
SMILESCCNc1nc(OC(C)(C)CC)c2[nH]cnc2n1
InChIInChI=1S/C12H19N5O/c1-5-12(3,4)18-10-8-9(15-7-14-8)16-11(17-10)13-6-2/h7H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyBYEBUTJSBOZASX-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.35
Rot. Bonds5

About N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine

N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine (PubChem CID 114786811) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine
PubChem CID114786811
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine
SMILESCCNc1nc(OC(C)(C)CC)c2[nH]cnc2n1
InChIInChI=1S/C12H19N5O/c1-5-12(3,4)18-10-8-9(15-7-14-8)16-11(17-10)13-6-2/h7H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyBYEBUTJSBOZASX-UHFFFAOYSA-N
XLogP2.35
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine
CID 114787500
N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine
CID 114786807
N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine
CID 114787606
N-ethyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine
CID 114786879
6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114787415
6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine
CID 114788027
N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine
CID 114787286
N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine
CID 114787967
6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114788114
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80861907
6-propan-2-yloxy-N-propyl-7H-purin-2-amine
CID 114786891

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine?
The IUPAC name of N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine (CID 114786811) is N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine.
What is the SMILES notation for N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine?
The canonical SMILES for N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine is CCNc1nc(OC(C)(C)CC)c2[nH]cnc2n1.
What is the InChIKey of N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine?
The InChIKey is BYEBUTJSBOZASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-12(3,4)18-10-8-9(15-7-14-8)16-11(17-10)13-6-2/h7H,5-6H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine?
N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine has a molecular weight of 249.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine is sourced from PubChem (CID 114786811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).