2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine

C11H6Cl2FN5 — CID 113442631

IUPAC2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine
SMILESFc1ccc(Nc2nc(Cl)nc3nc[nH]c23)cc1Cl
InChIInChI=1S/C11H6Cl2FN5/c12-6-3-5(1-2-7(6)14)17-10-8-9(16-4-15-8)18-11(13)19-10/h1-4H,(H2,15,16,17,18,19)
InChIKeyFOCRYPDEFCYYIN-UHFFFAOYSA-N
MW298.11 g/mol
LogP3.54
Rot. Bonds2

About 2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine

2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine (PubChem CID 113442631) has the molecular formula C11H6Cl2FN5 and a molecular weight of 298.11 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine
PubChem CID113442631
Molecular FormulaC11H6Cl2FN5
Molecular Weight298.11 g/mol
Exact Mass297.00
IUPAC Name2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine
SMILESFc1ccc(Nc2nc(Cl)nc3nc[nH]c23)cc1Cl
InChIInChI=1S/C11H6Cl2FN5/c12-6-3-5(1-2-7(6)14)17-10-8-9(16-4-15-8)18-11(13)19-10/h1-4H,(H2,15,16,17,18,19)
InChIKeyFOCRYPDEFCYYIN-UHFFFAOYSA-N
XLogP3.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine
CID 107622624
2-chloro-N-(2,4,6-trifluorophenyl)-7H-purin-6-amine
CID 104787396
2-chloro-N-[4-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 104787085
2-chloro-N-(2,6-difluoro-3-methylphenyl)-7H-purin-6-amine
CID 104787449
N-(4-bromo-3-iodophenyl)-2-chloro-7H-purin-6-amine
CID 114261164
4-[(2-chloro-7H-purin-6-yl)amino]benzene-1,2-dicarbonitrile
CID 107792395
2-chloro-N-pyridin-4-yl-7H-purin-6-amine
CID 155102926
2-chloro-N-(3-propan-2-ylphenyl)-7H-purin-6-amine
CID 104787073
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
1-N-(2-chloro-7H-purin-6-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 104787440
6-N-(4-chlorophenyl)-7H-purine-2,6-diamine
CID 14091121
2-chloro-N-(4-propylphenyl)-7H-purin-6-amine
CID 104787158

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine (CID 113442631) is 2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine is Fc1ccc(Nc2nc(Cl)nc3nc[nH]c23)cc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine?
The InChIKey is FOCRYPDEFCYYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FN5/c12-6-3-5(1-2-7(6)14)17-10-8-9(16-4-15-8)18-11(13)19-10/h1-4H,(H2,15,16,17,18,19).
What are the key properties of 2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine?
2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine has a molecular weight of 298.11 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine is sourced from PubChem (CID 113442631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).