9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine

C17H30N5O4P — CID 172753915

IUPAC9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine
SMILESC[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C17H30N5O4P/c1-12(8-22-10-21-13-14(18)19-9-20-15(13)22)24-11-27(23,25-16(2,3)4)26-17(5,6)7/h9-10,12H,8,11H2,1-7H3,(H2,18,19,20)/t12-/m1/s1
InChIKeyKTGLOXRLNKTESM-GFCCVEGCSA-N
MW399.43 g/mol
LogP3.59
Rot. Bonds7

About 9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine

9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine (PubChem CID 172753915) has the molecular formula C17H30N5O4P and a molecular weight of 399.43 g/mol. Its IUPAC name is 9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine.

Molecular Properties

Compound Name9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine
PubChem CID172753915
Molecular FormulaC17H30N5O4P
Molecular Weight399.43 g/mol
Exact Mass399.20
IUPAC Name9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine
SMILESC[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C17H30N5O4P/c1-12(8-22-10-21-13-14(18)19-9-20-15(13)22)24-11-27(23,25-16(2,3)4)26-17(5,6)7/h9-10,12H,8,11H2,1-7H3,(H2,18,19,20)/t12-/m1/s1
InChIKeyKTGLOXRLNKTESM-GFCCVEGCSA-N
XLogP3.59
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine 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

[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-(2,2-dimethylpropanoyloxy)phosphoryl] 2,2-dimethylpropanoate
CID 102095743
1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate
CID 161403767
1-(6-aminopurin-9-yl)propan-2-yloxymethyl-methylphosphinate;carbanylium
CID 160797854
bis([(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid);sulfuric acid
CID 174867396
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-hydroxyphosphoryl]oxyphosphinic acid;azane
CID 175673398
[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2,2-dimethylpropanoyloxymethyl)phosphoryl]methyl 2,2-dimethylpropanoate
CID 141157784
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid;oxalic acid
CID 56961670
[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(dimethylcarbamoyloxymethoxy)phosphoryl]oxymethyl N,N-dimethylcarbamate
CID 166551601
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxyphosphinic acid;azane
CID 171381468
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid;N-propan-2-ylpropan-2-amine
CID 46183708
2-[2-[(2S)-2-amino-3-methylbutanoyl]oxyethoxy-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl]phosphoryl]oxyethyl (2S)-2-amino-3-methylbutanoate
CID 155533865
1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonic acid;tris((E)-but-2-enedioic acid)
CID 174054141

Frequently Asked Questions

What is the IUPAC name of 9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine?
The IUPAC name of 9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine (CID 172753915) is 9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine.
What is the SMILES notation for 9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine?
The canonical SMILES for 9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine is C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of 9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine?
The InChIKey is KTGLOXRLNKTESM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H30N5O4P/c1-12(8-22-10-21-13-14(18)19-9-20-15(13)22)24-11-27(23,25-16(2,3)4)26-17(5,6)7/h9-10,12H,8,11H2,1-7H3,(H2,18,19,20)/t12-/m1/s1.
What are the key properties of 9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine?
9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine has a molecular weight of 399.43 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R)-2-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethoxy]propyl]purin-6-amine is sourced from PubChem (CID 172753915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).