9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine

C16H15FN5O3P — CID 137473936

IUPAC9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2C1OC(OCPOc2ccccc2)C=C1F
InChIInChI=1S/C16H15FN5O3P/c17-11-6-12(23-9-26-25-10-4-2-1-3-5-10)24-16(11)22-8-21-13-14(18)19-7-20-15(13)22/h1-8,12,16,26H,9H2,(H2,18,19,20)
InChIKeyQQANDGNICJZPKF-UHFFFAOYSA-N
MW375.30 g/mol
LogP2.76
Rot. Bonds6

About 9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine

9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine (PubChem CID 137473936) has the molecular formula C16H15FN5O3P and a molecular weight of 375.30 g/mol. Its IUPAC name is 9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine
PubChem CID137473936
Molecular FormulaC16H15FN5O3P
Molecular Weight375.30 g/mol
Exact Mass375.09
IUPAC Name9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2C1OC(OCPOc2ccccc2)C=C1F
InChIInChI=1S/C16H15FN5O3P/c17-11-6-12(23-9-26-25-10-4-2-1-3-5-10)24-16(11)22-8-21-13-14(18)19-7-20-15(13)22/h1-8,12,16,26H,9H2,(H2,18,19,20)
InChIKeyQQANDGNICJZPKF-UHFFFAOYSA-N
XLogP2.76
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]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

ethyl (2S)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate;dihydrochloride
CID 73352654
ethyl (2S)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]butanoate
CID 166135808
ethyl (2S)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate;propanedioic acid
CID 44603338
cyclopropylmethyl (2S)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
CID 166135844
butanedioic acid;ethyl (2S)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
CID 44603337
butyl (2S)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]butanoate
CID 46887170
2-methylpropyl (2S)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]-3-phenylpropanoate
CID 11621409
2-methylpropyl 2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[[2-(2-methylpropoxy)-2-oxoethyl]amino]phosphoryl]amino]acetate
CID 46887118
ethyl (2S)-3-[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]-2-methylpropanoate;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 162226314
ethyl (2S)-3-[[(5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]-2-methylpropanoate;1-hydroxynaphthalene-2-carboxylic acid
CID 158171195
N-[9-[(2R,5R)-5-(dimethylphosphorylmethoxy)-3-fluoro-2,5-dihydrofuran-2-yl]purin-6-yl]benzamide
CID 71036670
ethyl (2S)-2-[[[(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
CID 166135816

Frequently Asked Questions

What is the IUPAC name of 9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine?
The IUPAC name of 9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine (CID 137473936) is 9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine.
What is the SMILES notation for 9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine?
The canonical SMILES for 9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine is Nc1ncnc2c1ncn2C1OC(OCPOc2ccccc2)C=C1F.
What is the InChIKey of 9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine?
The InChIKey is QQANDGNICJZPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN5O3P/c17-11-6-12(23-9-26-25-10-4-2-1-3-5-10)24-16(11)22-8-21-13-14(18)19-7-20-15(13)22/h1-8,12,16,26H,9H2,(H2,18,19,20).
What are the key properties of 9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine?
9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine has a molecular weight of 375.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-fluoro-5-(phenoxyphosphanylmethoxy)-2,5-dihydrofuran-2-yl]purin-6-amine is sourced from PubChem (CID 137473936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).