9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine

C15H20FN5 — CID 70880252

IUPAC9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine
SMILESCCC(C)C1CC=C(n2cnc3c(N)nc(F)nc32)[C@@H]1C
InChIInChI=1S/C15H20FN5/c1-4-8(2)10-5-6-11(9(10)3)21-7-18-12-13(17)19-15(16)20-14(12)21/h6-10H,4-5H2,1-3H3,(H2,17,19,20)/t8?,9-,10?/m1/s1
InChIKeyYLWGEXRLYVQYGB-HWOCKDDLSA-N
MW289.36 g/mol
LogP3.09
Rot. Bonds3

About 9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine

9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine (PubChem CID 70880252) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine.

Molecular Properties

Compound Name9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine
PubChem CID70880252
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine
SMILESCCC(C)C1CC=C(n2cnc3c(N)nc(F)nc32)[C@@H]1C
InChIInChI=1S/C15H20FN5/c1-4-8(2)10-5-6-11(9(10)3)21-7-18-12-13(17)19-15(16)20-14(12)21/h6-10H,4-5H2,1-3H3,(H2,17,19,20)/t8?,9-,10?/m1/s1
InChIKeyYLWGEXRLYVQYGB-HWOCKDDLSA-N
XLogP3.09
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine
CID 70918459
ethane;2-fluoro-9-methylpurin-6-amine
CID 169190539
(1R,2S,3R,5R)-3-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-1-methylcyclopentane-1,2-diol
CID 25113695
5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol
CID 166922439
[(3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol
CID 170212867
(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(1-fluoroethyl)-2-(hydroxymethyl)oxolan-3-ol
CID 169213006
(2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol
CID 58192994
(2R,3S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58233823
[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880
(2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol
CID 137434563
CID 155596833
CID 155596833
(2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol
CID 42553034

Frequently Asked Questions

What is the IUPAC name of 9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine?
The IUPAC name of 9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine (CID 70880252) is 9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine.
What is the SMILES notation for 9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine?
The canonical SMILES for 9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine is CCC(C)C1CC=C(n2cnc3c(N)nc(F)nc32)[C@@H]1C.
What is the InChIKey of 9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine?
The InChIKey is YLWGEXRLYVQYGB-HWOCKDDLSA-N. The full InChI is InChI=1S/C15H20FN5/c1-4-8(2)10-5-6-11(9(10)3)21-7-18-12-13(17)19-15(16)20-14(12)21/h6-10H,4-5H2,1-3H3,(H2,17,19,20)/t8?,9-,10?/m1/s1.
What are the key properties of 9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine?
9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine has a molecular weight of 289.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine is sourced from PubChem (CID 70880252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).