9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine

C15H20FN5 — CID 70918459

IUPAC9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine
SMILESCC(C)[C@]1(C)C(n2cnc3c(N)nc(F)nc32)=CCC1C
InChIInChI=1S/C15H20FN5/c1-8(2)15(4)9(3)5-6-10(15)21-7-18-11-12(17)19-14(16)20-13(11)21/h6-9H,5H2,1-4H3,(H2,17,19,20)/t9?,15-/m0/s1
InChIKeyYQAWPPXRGFENRQ-POGJTHQKSA-N
MW289.36 g/mol
LogP3.09
Rot. Bonds2

About 9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine

9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine (PubChem CID 70918459) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine.

Molecular Properties

Compound Name9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine
PubChem CID70918459
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine
SMILESCC(C)[C@]1(C)C(n2cnc3c(N)nc(F)nc32)=CCC1C
InChIInChI=1S/C15H20FN5/c1-8(2)15(4)9(3)5-6-10(15)21-7-18-11-12(17)19-14(16)20-13(11)21/h6-9H,5H2,1-4H3,(H2,17,19,20)/t9?,15-/m0/s1
InChIKeyYQAWPPXRGFENRQ-POGJTHQKSA-N
XLogP3.09
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine
CID 70880252
ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine
CID 143869511
ethane;2-fluoro-9-methylpurin-6-amine
CID 169190539
[(3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol
CID 170212867
(1R,2S,3R,5R)-3-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-1-methylcyclopentane-1,2-diol
CID 25113695
trans-(1S,4R)-4-(6-amino-2-fluoropurin-9-yl)-2,3-dihydroxy-N,1-dimethylcyclopentane-1-carboxamide
CID 174067120
(2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol
CID 137434563
(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(1-fluoroethyl)-2-(hydroxymethyl)oxolan-3-ol
CID 169213006
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
2-[3-(6-amino-2-fluoropurin-9-yl)-1-hydroxyprop-2-ynyl]oxolan-3-ol
CID 177255435
9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine
CID 10839282

Frequently Asked Questions

What is the IUPAC name of 9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine?
The IUPAC name of 9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine (CID 70918459) is 9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine.
What is the SMILES notation for 9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine?
The canonical SMILES for 9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine is CC(C)[C@]1(C)C(n2cnc3c(N)nc(F)nc32)=CCC1C.
What is the InChIKey of 9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine?
The InChIKey is YQAWPPXRGFENRQ-POGJTHQKSA-N. The full InChI is InChI=1S/C15H20FN5/c1-8(2)15(4)9(3)5-6-10(15)21-7-18-11-12(17)19-14(16)20-13(11)21/h6-9H,5H2,1-4H3,(H2,17,19,20)/t9?,15-/m0/s1.
What are the key properties of 9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine?
9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine has a molecular weight of 289.36 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine is sourced from PubChem (CID 70918459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).