N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine

C11H6Br2FN5 — CID 69239287

IUPACN-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine
SMILESFc1cc(Br)c(Nc2ncnc3nc[nH]c23)c(Br)c1
InChIInChI=1S/C11H6Br2FN5/c12-6-1-5(14)2-7(13)8(6)19-11-9-10(16-3-15-9)17-4-18-11/h1-4H,(H2,15,16,17,18,19)
InChIKeyAPPNVATTYZCLIA-UHFFFAOYSA-N
MW387.01 g/mol
LogP3.76
Rot. Bonds2

About N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine

N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine (PubChem CID 69239287) has the molecular formula C11H6Br2FN5 and a molecular weight of 387.01 g/mol. Its IUPAC name is N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine
PubChem CID69239287
Molecular FormulaC11H6Br2FN5
Molecular Weight387.01 g/mol
Exact Mass384.90
IUPAC NameN-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine
SMILESFc1cc(Br)c(Nc2ncnc3nc[nH]c23)c(Br)c1
InChIInChI=1S/C11H6Br2FN5/c12-6-1-5(14)2-7(13)8(6)19-11-9-10(16-3-15-9)17-4-18-11/h1-4H,(H2,15,16,17,18,19)
InChIKeyAPPNVATTYZCLIA-UHFFFAOYSA-N
XLogP3.76
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.01
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-difluorophenyl)-7H-purin-6-amine
CID 69242091
N-(2-bromo-4-methylphenyl)-7H-purin-6-amine
CID 69241841
N-(2,3,4-trifluorophenyl)-7H-purin-6-amine
CID 69242349
N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine
CID 69242792
N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine
CID 164805836
N-(7H-purin-6-yl)hydroxylamine
CID 21876
2-chloro-N-(2,4,6-trifluorophenyl)-7H-purin-6-amine
CID 104787396
N-(3-chloro-4-methylphenyl)-7H-purin-6-amine
CID 2155036
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
4-(7H-purin-6-ylamino)benzenesulfonic acid
CID 22147127
N-(trideuteriomethyl)-7H-purin-6-amine
CID 169443443
N-ethynyl-7H-purin-6-amine
CID 149150295

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine?
The IUPAC name of N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine (CID 69239287) is N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine.
What is the SMILES notation for N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine?
The canonical SMILES for N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine is Fc1cc(Br)c(Nc2ncnc3nc[nH]c23)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine?
The InChIKey is APPNVATTYZCLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2FN5/c12-6-1-5(14)2-7(13)8(6)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-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine?
N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine has a molecular weight of 387.01 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine is sourced from PubChem (CID 69239287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).