N-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine

C14H12FN5 — CID 166302699

IUPACN-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine
SMILESF[C@@H]1Cc2ccccc2[C@@H]1Nc1ncnc2nc[nH]c12
InChIInChI=1S/C14H12FN5/c15-10-5-8-3-1-2-4-9(8)11(10)20-14-12-13(17-6-16-12)18-7-19-14/h1-4,6-7,10-11H,5H2,(H2,16,17,18,19,20)/t10-,11+/m1/s1
InChIKeyGIOIVQHZVFWZLL-MNOVXSKESA-N
MW269.28 g/mol
LogP2.40
Rot. Bonds2

About N-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine

N-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine (PubChem CID 166302699) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine
PubChem CID166302699
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC NameN-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine
SMILESF[C@@H]1Cc2ccccc2[C@@H]1Nc1ncnc2nc[nH]c12
InChIInChI=1S/C14H12FN5/c15-10-5-8-3-1-2-4-9(8)11(10)20-14-12-13(17-6-16-12)18-7-19-14/h1-4,6-7,10-11H,5H2,(H2,16,17,18,19,20)/t10-,11+/m1/s1
InChIKeyGIOIVQHZVFWZLL-MNOVXSKESA-N
XLogP2.40
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine;hydrochloride
CID 140980840
N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine
CID 61223491
N-piperidin-4-yl-7H-purin-6-amine
CID 24689570
N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine
CID 131020883
N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine
CID 129320692
N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine
CID 140997133
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine
CID 133446462
2-(7H-purin-6-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 70753701
N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine
CID 103863975
N-[(3S)-azepan-3-yl]-7H-purin-6-amine
CID 167844435
2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 18788993
N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine
CID 61233310

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine?
The IUPAC name of N-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine (CID 166302699) is N-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine is F[C@@H]1Cc2ccccc2[C@@H]1Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine?
The InChIKey is GIOIVQHZVFWZLL-MNOVXSKESA-N. The full InChI is InChI=1S/C14H12FN5/c15-10-5-8-3-1-2-4-9(8)11(10)20-14-12-13(17-6-16-12)18-7-19-14/h1-4,6-7,10-11H,5H2,(H2,16,17,18,19,20)/t10-,11+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine?
N-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine has a molecular weight of 269.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine is sourced from PubChem (CID 166302699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).