ethane;2-fluoro-9-methylpurin-6-amine

C10H18FN5 — CID 169190539

IUPACethane;2-fluoro-9-methylpurin-6-amine
SMILESCC.CC.Cn1cnc2c(N)nc(F)nc21
InChIInChI=1S/C6H6FN5.2C2H6/c1-12-2-9-3-4(8)10-6(7)11-5(3)12;2*1-2/h2H,1H3,(H2,8,10,11);2*1-2H3
InChIKeyCZOSSTKPXNKCRV-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.14
Rot. Bonds

About ethane;2-fluoro-9-methylpurin-6-amine

ethane;2-fluoro-9-methylpurin-6-amine (PubChem CID 169190539) has the molecular formula C10H18FN5 and a molecular weight of 227.29 g/mol. Its IUPAC name is ethane;2-fluoro-9-methylpurin-6-amine.

Molecular Properties

Compound Nameethane;2-fluoro-9-methylpurin-6-amine
PubChem CID169190539
Molecular FormulaC10H18FN5
Molecular Weight227.29 g/mol
Exact Mass227.15
IUPAC Nameethane;2-fluoro-9-methylpurin-6-amine
SMILESCC.CC.Cn1cnc2c(N)nc(F)nc21
InChIInChI=1S/C6H6FN5.2C2H6/c1-12-2-9-3-4(8)10-6(7)11-5(3)12;2*1-2/h2H,1H3,(H2,8,10,11);2*1-2H3
InChIKeyCZOSSTKPXNKCRV-UHFFFAOYSA-N
XLogP2.14
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropane;9-methylpurine-2,6-diamine
CID 142265839
2-N,2-N,9-trimethylpurine-2,6-diamine
CID 66791926
9-methyl-2-prop-1-ynylpurin-6-amine
CID 58861794
9-methyl-2-phenylpurin-6-amine
CID 121009217
(2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol
CID 42553034
(2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol
CID 71745506
5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol
CID 166922439
5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one
CID 139493621
1,2-diamino-9-methylpurin-6-one
CID 119097345
[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 15172905
[(2R,5S)-5-(6-amino-2-fluoropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 15172904
(3S)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 171699513

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-9-methylpurin-6-amine?
The IUPAC name of ethane;2-fluoro-9-methylpurin-6-amine (CID 169190539) is ethane;2-fluoro-9-methylpurin-6-amine.
What is the SMILES notation for ethane;2-fluoro-9-methylpurin-6-amine?
The canonical SMILES for ethane;2-fluoro-9-methylpurin-6-amine is CC.CC.Cn1cnc2c(N)nc(F)nc21.
What is the InChIKey of ethane;2-fluoro-9-methylpurin-6-amine?
The InChIKey is CZOSSTKPXNKCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN5.2C2H6/c1-12-2-9-3-4(8)10-6(7)11-5(3)12;2*1-2/h2H,1H3,(H2,8,10,11);2*1-2H3.
What are the key properties of ethane;2-fluoro-9-methylpurin-6-amine?
ethane;2-fluoro-9-methylpurin-6-amine has a molecular weight of 227.29 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-9-methylpurin-6-amine is sourced from PubChem (CID 169190539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).