N'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide

C12H13FN6O — CID 59157856

IUPACN'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1ncnc2c1ncn2[C@@H]1OC=C[C@@H]1F
InChIInChI=1S/C12H13FN6O/c1-18(2)6-17-10-9-11(15-5-14-10)19(7-16-9)12-8(13)3-4-20-12/h3-8,12H,1-2H3/t8-,12+/m0/s1
InChIKeySPWPBUMVJJCWKE-QPUJVOFHSA-N
MW276.28 g/mol
LogP1.43
Rot. Bonds3

About N'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide

N'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide (PubChem CID 59157856) has the molecular formula C12H13FN6O and a molecular weight of 276.28 g/mol. Its IUPAC name is N'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide
PubChem CID59157856
Molecular FormulaC12H13FN6O
Molecular Weight276.28 g/mol
Exact Mass276.11
IUPAC NameN'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1ncnc2c1ncn2[C@@H]1OC=C[C@@H]1F
InChIInChI=1S/C12H13FN6O/c1-18(2)6-17-10-9-11(15-5-14-10)19(7-16-9)12-8(13)3-4-20-12/h3-8,12H,1-2H3/t8-,12+/m0/s1
InChIKeySPWPBUMVJJCWKE-QPUJVOFHSA-N
XLogP1.43
TPSA68.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane
CID 129084461
N'-[9-[(2R,3R,4R,5R)-5-chloro-3-fluoro-4-phenylselanyloxolan-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide
CID 140542197
N'-[9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-N,N-dimethylmethanimidamide
CID 54454886
N'-[9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-N,N-dimethylmethanimidamide
CID 15477022
N'-[9-[(1R,3S,4S)-4-ethyl-2,3-dihydroxycyclopentyl]purin-6-yl]-N,N-dimethylmethanimidamide
CID 58492830
N'-[9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]-N,N-dimethylmethanimidamide
CID 101388879
[(2R,3R,4R,5R)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[6-[(E)-dimethylaminomethylideneamino]purin-9-yl]oxolan-3-yl] acetate
CID 11017692
N'-[9-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide
CID 154619250
N,N-dibutyl-N'-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]methanimidamide
CID 127260541
N'-[9-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-ethoxyethoxy]oxolan-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide
CID 159236977
chlorooxy 1-[6-(dimethylaminomethylideneamino)purin-9-yl]propan-2-yloxy methyl phosphate
CID 175398037
CID 58521297
CID 58521297

Frequently Asked Questions

What is the IUPAC name of N'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide (CID 59157856) is N'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1ncnc2c1ncn2[C@@H]1OC=C[C@@H]1F.
What is the InChIKey of N'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide?
The InChIKey is SPWPBUMVJJCWKE-QPUJVOFHSA-N. The full InChI is InChI=1S/C12H13FN6O/c1-18(2)6-17-10-9-11(15-5-14-10)19(7-16-9)12-8(13)3-4-20-12/h3-8,12H,1-2H3/t8-,12+/m0/s1.
What are the key properties of N'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide?
N'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide has a molecular weight of 276.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 59157856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).