2,5-difluoro-4-(7H-purin-6-yloxy)aniline

C11H7F2N5O — CID 63598478

IUPAC2,5-difluoro-4-(7H-purin-6-yloxy)aniline
SMILESNc1cc(F)c(Oc2ncnc3nc[nH]c23)cc1F
InChIInChI=1S/C11H7F2N5O/c12-5-2-8(6(13)1-7(5)14)19-11-9-10(16-3-15-9)17-4-18-11/h1-4H,14H2,(H,15,16,17,18)
InChIKeyNGQUIRIECSXEMX-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.01
Rot. Bonds2

About 2,5-difluoro-4-(7H-purin-6-yloxy)aniline

2,5-difluoro-4-(7H-purin-6-yloxy)aniline (PubChem CID 63598478) has the molecular formula C11H7F2N5O and a molecular weight of 263.21 g/mol. Its IUPAC name is 2,5-difluoro-4-(7H-purin-6-yloxy)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-(7H-purin-6-yloxy)aniline
PubChem CID63598478
Molecular FormulaC11H7F2N5O
Molecular Weight263.21 g/mol
Exact Mass263.06
IUPAC Name2,5-difluoro-4-(7H-purin-6-yloxy)aniline
SMILESNc1cc(F)c(Oc2ncnc3nc[nH]c23)cc1F
InChIInChI=1S/C11H7F2N5O/c12-5-2-8(6(13)1-7(5)14)19-11-9-10(16-3-15-9)17-4-18-11/h1-4H,14H2,(H,15,16,17,18)
InChIKeyNGQUIRIECSXEMX-UHFFFAOYSA-N
XLogP2.01
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(7H-purin-6-yloxy)naphthalen-1-amine
CID 63690306
4-(4-amino-2,5-difluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114578763
5-fluoro-4-methoxy-2-(7H-purin-6-ylsulfanyl)aniline
CID 63600025
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline
CID 63599367
6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine
CID 114788110
4-methyl-2-(7H-purin-6-yloxy)benzoic acid
CID 61395763
methanol;7H-purin-6-amine
CID 67194832
3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid
CID 61396179
tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium
CID 24751262
7H-purin-6-amine;hydrochloride
CID 169432832
CID 67796265
CID 67796265
6-prop-2-enoxy-7H-purine
CID 3816971

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(7H-purin-6-yloxy)aniline?
The IUPAC name of 2,5-difluoro-4-(7H-purin-6-yloxy)aniline (CID 63598478) is 2,5-difluoro-4-(7H-purin-6-yloxy)aniline.
What is the SMILES notation for 2,5-difluoro-4-(7H-purin-6-yloxy)aniline?
The canonical SMILES for 2,5-difluoro-4-(7H-purin-6-yloxy)aniline is Nc1cc(F)c(Oc2ncnc3nc[nH]c23)cc1F.
What is the InChIKey of 2,5-difluoro-4-(7H-purin-6-yloxy)aniline?
The InChIKey is NGQUIRIECSXEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5O/c12-5-2-8(6(13)1-7(5)14)19-11-9-10(16-3-15-9)17-4-18-11/h1-4H,14H2,(H,15,16,17,18).
What are the key properties of 2,5-difluoro-4-(7H-purin-6-yloxy)aniline?
2,5-difluoro-4-(7H-purin-6-yloxy)aniline has a molecular weight of 263.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(7H-purin-6-yloxy)aniline is sourced from PubChem (CID 63598478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).