[4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate

C17H28N6O4 — CID 164881903

IUPAC[4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate
SMILESCCOc1nc(N)nc2c1ncn2CCC(COC(=O)C(N)C(C)C)OC
InChIInChI=1S/C17H28N6O4/c1-5-26-15-13-14(21-17(19)22-15)23(9-20-13)7-6-11(25-4)8-27-16(24)12(18)10(2)3/h9-12H,5-8,18H2,1-4H3,(H2,19,21,22)
InChIKeyBUUZXKUQMMLIPJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP0.74
Rot. Bonds10

About [4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate

[4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate (PubChem CID 164881903) has the molecular formula C17H28N6O4 and a molecular weight of 380.45 g/mol. Its IUPAC name is [4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name[4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate
PubChem CID164881903
Molecular FormulaC17H28N6O4
Molecular Weight380.45 g/mol
Exact Mass380.22
IUPAC Name[4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate
SMILESCCOc1nc(N)nc2c1ncn2CCC(COC(=O)C(N)C(C)C)OC
InChIInChI=1S/C17H28N6O4/c1-5-26-15-13-14(21-17(19)22-15)23(9-20-13)7-6-11(25-4)8-27-16(24)12(18)10(2)3/h9-12H,5-8,18H2,1-4H3,(H2,19,21,22)
InChIKeyBUUZXKUQMMLIPJ-UHFFFAOYSA-N
XLogP0.74
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate with MolForge

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Related Compounds

[4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate
CID 164881878
[3-[(2S)-2-amino-3-methylbutanoyl]oxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]propyl] (2S)-2-amino-3-methylbutanoate
CID 135465377
[3-[(2S)-2-amino-3-methylbutanoyl]oxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]propyl] 2-amino-3-methylbutanoate
CID 163202802
[(2S)-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2R)-2-amino-3-methylbutanoate
CID 135543634
[2-(acetyloxymethyl)-4-(2-amino-6-fluoropurin-9-yl)butyl] acetate
CID 15162788
[2-(2-amino-6-propoxypurin-9-yl)ethoxymethyl-methylphosphoryl]oxymethyl propan-2-yl carbonate
CID 70986314
6-ethoxy-9-N-ethylpurine-2,9-diamine
CID 123136405
9-(1,3-dihydroxypropan-2-yloxymethyl)-2-methyl-1H-purin-6-one;[3-hydroxy-2-[(2-methyl-6-oxo-1H-purin-9-yl)methoxy]propyl] 2-amino-3-methylbutanoate
CID 158366910
N-[9-(4-amino-3-methoxybutyl)-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 153344791
9-butyl-6-ethynoxypurin-2-amine
CID 167178851
[3-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(2-aminopurin-9-yl)pentyl] icosanoate
CID 54140644
9-[4-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]butyl]-6-(2-methoxyethoxy)purin-2-amine
CID 10051951

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate?
The IUPAC name of [4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate (CID 164881903) is [4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate.
What is the SMILES notation for [4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate?
The canonical SMILES for [4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate is CCOc1nc(N)nc2c1ncn2CCC(COC(=O)C(N)C(C)C)OC.
What is the InChIKey of [4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate?
The InChIKey is BUUZXKUQMMLIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O4/c1-5-26-15-13-14(21-17(19)22-15)23(9-20-13)7-6-11(25-4)8-27-16(24)12(18)10(2)3/h9-12H,5-8,18H2,1-4H3,(H2,19,21,22).
What are the key properties of [4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate?
[4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate has a molecular weight of 380.45 g/mol, XLogP of 0.74, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate is sourced from PubChem (CID 164881903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).