6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine

C15H24FN8O3P — CID 57032218

IUPAC6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine
SMILESCC(C)OP(COC(CF)Cn1cnc2c(N=[N+]=[N-])nc(N)nc21)OC(C)C
InChIInChI=1S/C15H24FN8O3P/c1-9(2)26-28(27-10(3)4)8-25-11(5-16)6-24-7-19-12-13(22-23-18)20-15(17)21-14(12)24/h7,9-11H,5-6,8H2,1-4H3,(H2,17,20,21)
InChIKeyMMEOYOHURNNYMY-UHFFFAOYSA-N
MW414.38 g/mol
LogP3.82
Rot. Bonds11

About 6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine

6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine (PubChem CID 57032218) has the molecular formula C15H24FN8O3P and a molecular weight of 414.38 g/mol. Its IUPAC name is 6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine.

Molecular Properties

Compound Name6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine
PubChem CID57032218
Molecular FormulaC15H24FN8O3P
Molecular Weight414.38 g/mol
Exact Mass414.17
IUPAC Name6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine
SMILESCC(C)OP(COC(CF)Cn1cnc2c(N=[N+]=[N-])nc(N)nc21)OC(C)C
InChIInChI=1S/C15H24FN8O3P/c1-9(2)26-28(27-10(3)4)8-25-11(5-16)6-24-7-19-12-13(22-23-18)20-15(17)21-14(12)24/h7,9-11H,5-6,8H2,1-4H3,(H2,17,20,21)
InChIKeyMMEOYOHURNNYMY-UHFFFAOYSA-N
XLogP3.82
TPSA146.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine
CID 57062350
9-[(2S)-3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine
CID 68817309
9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine
CID 67642946
2-(2-amino-9-ethylpurin-6-yl)guanidine
CID 71720716
9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine
CID 163571544
(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
[(2S)-1-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid
CID 135542259
[2-(2,6-diaminopurin-9-yl)-1-(2-fluoroethoxy)ethoxy]methylphosphonic acid
CID 3010212
[3-(2,6-diaminopurin-9-yl)-2-(phosphonomethoxy)propyl]-trimethylazanium
CID 512308
ethyl (2S)-2-[[[(2S)-1-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-fluoropropan-2-yl]oxymethyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate
CID 54768441
[(2S)-1-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoropropan-2-yl]oxymethyl-phenylmethoxyphosphinic acid
CID 137308344
2-[(2,6-diaminopurin-9-yl)methyl]propane-1,3-diol
CID 15516211

Frequently Asked Questions

What is the IUPAC name of 6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine?
The IUPAC name of 6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine (CID 57032218) is 6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine.
What is the SMILES notation for 6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine?
The canonical SMILES for 6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine is CC(C)OP(COC(CF)Cn1cnc2c(N=[N+]=[N-])nc(N)nc21)OC(C)C.
What is the InChIKey of 6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine?
The InChIKey is MMEOYOHURNNYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN8O3P/c1-9(2)26-28(27-10(3)4)8-25-11(5-16)6-24-7-19-12-13(22-23-18)20-15(17)21-14(12)24/h7,9-11H,5-6,8H2,1-4H3,(H2,17,20,21).
What are the key properties of 6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine?
6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine has a molecular weight of 414.38 g/mol, XLogP of 3.82, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine is sourced from PubChem (CID 57032218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).