6-(2,2-difluoroethoxy)-7H-purin-2-amine

C7H7F2N5O — CID 114787974

IUPAC6-(2,2-difluoroethoxy)-7H-purin-2-amine
SMILESNc1nc(OCC(F)F)c2[nH]cnc2n1
InChIInChI=1S/C7H7F2N5O/c8-3(9)1-15-6-4-5(12-2-11-4)13-7(10)14-6/h2-3H,1H2,(H3,10,11,12,13,14)
InChIKeyZIACRPVAIDKXIM-UHFFFAOYSA-N
MW215.16 g/mol
LogP0.58
Rot. Bonds3

About 6-(2,2-difluoroethoxy)-7H-purin-2-amine

6-(2,2-difluoroethoxy)-7H-purin-2-amine (PubChem CID 114787974) has the molecular formula C7H7F2N5O and a molecular weight of 215.16 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-7H-purin-2-amine
PubChem CID114787974
Molecular FormulaC7H7F2N5O
Molecular Weight215.16 g/mol
Exact Mass215.06
IUPAC Name6-(2,2-difluoroethoxy)-7H-purin-2-amine
SMILESNc1nc(OCC(F)F)c2[nH]cnc2n1
InChIInChI=1S/C7H7F2N5O/c8-3(9)1-15-6-4-5(12-2-11-4)13-7(10)14-6/h2-3H,1H2,(H3,10,11,12,13,14)
InChIKeyZIACRPVAIDKXIM-UHFFFAOYSA-N
XLogP0.58
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol
CID 114216836
6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine
CID 114787836
6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine
CID 106669246
6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine
CID 146985461
6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine
CID 5329518
6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine
CID 5329522
6-[(3-aminophenyl)methoxy]-7H-purin-2-amine
CID 5329517
4-[(2-amino-7H-purin-6-yl)oxymethyl]benzaldehyde
CID 10107108
6-[(3-iodophenyl)methoxy]-7H-purin-2-amine
CID 11530724
6-(4-propan-2-ylphenoxy)-7H-purin-2-amine
CID 114787126
6-(2,3-difluorophenoxy)-7H-purin-2-amine
CID 114787655
6-(1-amino-2-methylpropyl)-7H-purin-2-amine
CID 174749198

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-7H-purin-2-amine?
The IUPAC name of 6-(2,2-difluoroethoxy)-7H-purin-2-amine (CID 114787974) is 6-(2,2-difluoroethoxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-7H-purin-2-amine?
The canonical SMILES for 6-(2,2-difluoroethoxy)-7H-purin-2-amine is Nc1nc(OCC(F)F)c2[nH]cnc2n1.
What is the InChIKey of 6-(2,2-difluoroethoxy)-7H-purin-2-amine?
The InChIKey is ZIACRPVAIDKXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N5O/c8-3(9)1-15-6-4-5(12-2-11-4)13-7(10)14-6/h2-3H,1H2,(H3,10,11,12,13,14).
What are the key properties of 6-(2,2-difluoroethoxy)-7H-purin-2-amine?
6-(2,2-difluoroethoxy)-7H-purin-2-amine has a molecular weight of 215.16 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)-7H-purin-2-amine is sourced from PubChem (CID 114787974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).