9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine

C9H14FN6OP — CID 67642946

IUPAC9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine
SMILESNc1nc(N)c2ncn(CC(CF)OCP)c2n1
InChIInChI=1S/C9H14FN6OP/c10-1-5(17-4-18)2-16-3-13-6-7(11)14-9(12)15-8(6)16/h3,5H,1-2,4,18H2,(H4,11,12,14,15)
InChIKeyZATFNGCHPJBKRC-UHFFFAOYSA-N
MW272.22 g/mol
LogP0.18
Rot. Bonds5

About 9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine

9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine (PubChem CID 67642946) has the molecular formula C9H14FN6OP and a molecular weight of 272.22 g/mol. Its IUPAC name is 9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine.

Molecular Properties

Compound Name9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine
PubChem CID67642946
Molecular FormulaC9H14FN6OP
Molecular Weight272.22 g/mol
Exact Mass272.10
IUPAC Name9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine
SMILESNc1nc(N)c2ncn(CC(CF)OCP)c2n1
InChIInChI=1S/C9H14FN6OP/c10-1-5(17-4-18)2-16-3-13-6-7(11)14-9(12)15-8(6)16/h3,5H,1-2,4,18H2,(H4,11,12,14,15)
InChIKeyZATFNGCHPJBKRC-UHFFFAOYSA-N
XLogP0.18
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9-[(2S)-3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine
CID 68817309
9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine
CID 163571544
2-[(2,6-diaminopurin-9-yl)methyl]propane-1,3-diol
CID 15516211
(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine
CID 57062350
[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
(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol
CID 67450867
(2S)-2-[(2,6-diaminopurin-9-yl)methoxy]-2-methoxyethanol
CID 143717485
9-propylpurine-2,6-diamine;dihydrochloride
CID 141031131
6-azido-9-[2-[di(propan-2-yloxy)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine
CID 57032218
9-[[1-(1,1,1,5,5,5-hexafluoropentan-3-yloxy)cyclopropyl]methyl]purine-2,6-diamine
CID 87464990

Frequently Asked Questions

What is the IUPAC name of 9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine?
The IUPAC name of 9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine (CID 67642946) is 9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine.
What is the SMILES notation for 9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine?
The canonical SMILES for 9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine is Nc1nc(N)c2ncn(CC(CF)OCP)c2n1.
What is the InChIKey of 9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine?
The InChIKey is ZATFNGCHPJBKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN6OP/c10-1-5(17-4-18)2-16-3-13-6-7(11)14-9(12)15-8(6)16/h3,5H,1-2,4,18H2,(H4,11,12,14,15).
What are the key properties of 9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine?
9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine has a molecular weight of 272.22 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine is sourced from PubChem (CID 67642946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).