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

C15H23ClN6O3 — CID 164881878

IUPAC[4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate
SMILESCOC(CCn1cnc2c(Cl)nc(N)nc21)COC(=O)C(N)C(C)C
InChIInChI=1S/C15H23ClN6O3/c1-8(2)10(17)14(23)25-6-9(24-3)4-5-22-7-19-11-12(16)20-15(18)21-13(11)22/h7-10H,4-6,17H2,1-3H3,(H2,18,20,21)
InChIKeyDORJKMNNEXHCDO-UHFFFAOYSA-N
MW370.84 g/mol
LogP0.99
Rot. Bonds8

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

[4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate (PubChem CID 164881878) has the molecular formula C15H23ClN6O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is [4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name[4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate
PubChem CID164881878
Molecular FormulaC15H23ClN6O3
Molecular Weight370.84 g/mol
Exact Mass370.15
IUPAC Name[4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate
SMILESCOC(CCn1cnc2c(Cl)nc(N)nc21)COC(=O)C(N)C(C)C
InChIInChI=1S/C15H23ClN6O3/c1-8(2)10(17)14(23)25-6-9(24-3)4-5-22-7-19-11-12(16)20-15(18)21-13(11)22/h7-10H,4-6,17H2,1-3H3,(H2,18,20,21)
InChIKeyDORJKMNNEXHCDO-UHFFFAOYSA-N
XLogP0.99
TPSA131.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-amino-6-ethoxypurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate
CID 164881903
2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol
CID 10516417
6-chloro-9-pentylpurin-2-amine
CID 139201177
[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
[2-(acetyloxymethyl)-4-(6-chloro-2-methylpurin-9-yl)butyl] acetate
CID 59017604
2-(2-amino-6-chloropurin-9-yl)ethoxymethyl-methoxyphosphinic acid
CID 167008984
(2R)-4-(2-amino-6-chloropurin-9-yl)-2-(phenylmethoxymethyl)butan-1-ol
CID 54040507
[(2S)-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2R)-2-amino-3-methylbutanoate
CID 135543634
6-chloro-9-[3-[di(propan-2-yl)phosphorylmethoxy]propyl]purin-2-amine
CID 141106992
[2-(acetyloxymethyl)-4-(2-amino-6-fluoropurin-9-yl)butyl] acetate
CID 15162788
6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine
CID 57062350

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate?
The IUPAC name of [4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate (CID 164881878) is [4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate.
What is the SMILES notation for [4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate?
The canonical SMILES for [4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate is COC(CCn1cnc2c(Cl)nc(N)nc21)COC(=O)C(N)C(C)C.
What is the InChIKey of [4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate?
The InChIKey is DORJKMNNEXHCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN6O3/c1-8(2)10(17)14(23)25-6-9(24-3)4-5-22-7-19-11-12(16)20-15(18)21-13(11)22/h7-10H,4-6,17H2,1-3H3,(H2,18,20,21).
What are the key properties of [4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate?
[4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate has a molecular weight of 370.84 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-chloropurin-9-yl)-2-methoxybutyl] 2-amino-3-methylbutanoate is sourced from PubChem (CID 164881878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).