N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine

C14H12FN5O — CID 129320692

IUPACN-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine
SMILESFc1cccc2c1OCC[C@@H]2Nc1ncnc2nc[nH]c12
InChIInChI=1S/C14H12FN5O/c15-9-3-1-2-8-10(4-5-21-12(8)9)20-14-11-13(17-6-16-11)18-7-19-14/h1-3,6-7,10H,4-5H2,(H2,16,17,18,19,20)/t10-/m0/s1
InChIKeyZNXSIJRUOWOACI-JTQLQIEISA-N
MW285.28 g/mol
LogP2.43
Rot. Bonds2

About N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine

N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine (PubChem CID 129320692) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine
PubChem CID129320692
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC NameN-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine
SMILESFc1cccc2c1OCC[C@@H]2Nc1ncnc2nc[nH]c12
InChIInChI=1S/C14H12FN5O/c15-9-3-1-2-8-10(4-5-21-12(8)9)20-14-11-13(17-6-16-11)18-7-19-14/h1-3,6-7,10H,4-5H2,(H2,16,17,18,19,20)/t10-/m0/s1
InChIKeyZNXSIJRUOWOACI-JTQLQIEISA-N
XLogP2.43
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine
CID 133446462
N-(3-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine;hydrochloride
CID 140980840
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine
CID 133293354
N-piperidin-4-yl-7H-purin-6-amine
CID 24689570
N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
CID 69240317
N-[(1S,2R)-2-fluoro-2,3-dihydro-1H-inden-1-yl]-7H-purin-6-amine
CID 166302699
N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine
CID 103863975
N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine
CID 61233310
N-[1-(7-fluoro-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-yl)ethyl]-7H-purin-6-amine
CID 141346083
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-7H-purin-6-amine
CID 133385463
N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine
CID 131020883
2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine
CID 167769299

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine?
The IUPAC name of N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine (CID 129320692) is N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine.
What is the SMILES notation for N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine?
The canonical SMILES for N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine is Fc1cccc2c1OCC[C@@H]2Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine?
The InChIKey is ZNXSIJRUOWOACI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12FN5O/c15-9-3-1-2-8-10(4-5-21-12(8)9)20-14-11-13(17-6-16-11)18-7-19-14/h1-3,6-7,10H,4-5H2,(H2,16,17,18,19,20)/t10-/m0/s1.
What are the key properties of N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine?
N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine has a molecular weight of 285.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine is sourced from PubChem (CID 129320692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).