N-(2,3,4-trifluorophenyl)-7H-purin-6-amine

C11H6F3N5 — CID 69242349

IUPACN-(2,3,4-trifluorophenyl)-7H-purin-6-amine
SMILESFc1ccc(Nc2ncnc3nc[nH]c23)c(F)c1F
InChIInChI=1S/C11H6F3N5/c12-5-1-2-6(8(14)7(5)13)19-11-9-10(16-3-15-9)17-4-18-11/h1-4H,(H2,15,16,17,18,19)
InChIKeyQGJNROFJAPEBPJ-UHFFFAOYSA-N
MW265.20 g/mol
LogP2.51
Rot. Bonds2

About N-(2,3,4-trifluorophenyl)-7H-purin-6-amine

N-(2,3,4-trifluorophenyl)-7H-purin-6-amine (PubChem CID 69242349) has the molecular formula C11H6F3N5 and a molecular weight of 265.20 g/mol. Its IUPAC name is N-(2,3,4-trifluorophenyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2,3,4-trifluorophenyl)-7H-purin-6-amine
PubChem CID69242349
Molecular FormulaC11H6F3N5
Molecular Weight265.20 g/mol
Exact Mass265.06
IUPAC NameN-(2,3,4-trifluorophenyl)-7H-purin-6-amine
SMILESFc1ccc(Nc2ncnc3nc[nH]c23)c(F)c1F
InChIInChI=1S/C11H6F3N5/c12-5-1-2-6(8(14)7(5)13)19-11-9-10(16-3-15-9)17-4-18-11/h1-4H,(H2,15,16,17,18,19)
InChIKeyQGJNROFJAPEBPJ-UHFFFAOYSA-N
XLogP2.51
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine
CID 69242792
N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875231
N-(3,5-difluorophenyl)-7H-purin-6-amine
CID 69242091
N-(2-bromo-4-methylphenyl)-7H-purin-6-amine
CID 69241841
N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine;N-(2-fluoro-5-nitrophenyl)-7H-purin-6-amine
CID 69242790
N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine
CID 69239287
1-N-(4-methylphenyl)-2-N-(7H-purin-6-yl)benzene-1,2-diamine
CID 108778162
N-(2,5-dimethoxyphenyl)-7H-purin-6-amine
CID 756650
N-(7H-purin-6-yl)hydroxylamine
CID 21876
N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
CID 69240317
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine
CID 164805836

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trifluorophenyl)-7H-purin-6-amine?
The IUPAC name of N-(2,3,4-trifluorophenyl)-7H-purin-6-amine (CID 69242349) is N-(2,3,4-trifluorophenyl)-7H-purin-6-amine.
What is the SMILES notation for N-(2,3,4-trifluorophenyl)-7H-purin-6-amine?
The canonical SMILES for N-(2,3,4-trifluorophenyl)-7H-purin-6-amine is Fc1ccc(Nc2ncnc3nc[nH]c23)c(F)c1F.
What is the InChIKey of N-(2,3,4-trifluorophenyl)-7H-purin-6-amine?
The InChIKey is QGJNROFJAPEBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5/c12-5-1-2-6(8(14)7(5)13)19-11-9-10(16-3-15-9)17-4-18-11/h1-4H,(H2,15,16,17,18,19).
What are the key properties of N-(2,3,4-trifluorophenyl)-7H-purin-6-amine?
N-(2,3,4-trifluorophenyl)-7H-purin-6-amine has a molecular weight of 265.20 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trifluorophenyl)-7H-purin-6-amine is sourced from PubChem (CID 69242349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).