6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine

C8H8F3N5O — CID 114787836

IUPAC6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine
SMILESCC(Oc1nc(N)nc2nc[nH]c12)C(F)(F)F
InChIInChI=1S/C8H8F3N5O/c1-3(8(9,10)11)17-6-4-5(14-2-13-4)15-7(12)16-6/h2-3H,1H3,(H3,12,13,14,15,16)
InChIKeyCXRSIEJDNNGZBY-UHFFFAOYSA-N
MW247.18 g/mol
LogP1.26
Rot. Bonds2

About 6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine

6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine (PubChem CID 114787836) has the molecular formula C8H8F3N5O and a molecular weight of 247.18 g/mol. Its IUPAC name is 6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine
PubChem CID114787836
Molecular FormulaC8H8F3N5O
Molecular Weight247.18 g/mol
Exact Mass247.07
IUPAC Name6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine
SMILESCC(Oc1nc(N)nc2nc[nH]c12)C(F)(F)F
InChIInChI=1S/C8H8F3N5O/c1-3(8(9,10)11)17-6-4-5(14-2-13-4)15-7(12)16-6/h2-3H,1H3,(H3,12,13,14,15,16)
InChIKeyCXRSIEJDNNGZBY-UHFFFAOYSA-N
XLogP1.26
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,2-difluoroethoxy)-7H-purin-2-amine
CID 114787974
6-(4-propan-2-ylphenoxy)-7H-purin-2-amine
CID 114787126
6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine
CID 114788110
5-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine
CID 80877300
5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol
CID 114216836
6-(2,3-dimethylphenoxy)-7H-purin-2-amine
CID 114787154
6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine
CID 106669246
6-(1-amino-2-methylpropyl)-7H-purin-2-amine
CID 174749198
4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine
CID 80878281
6-(2,3-difluorophenoxy)-7H-purin-2-amine
CID 114787655
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
6-[(3-aminophenyl)methoxy]-7H-purin-2-amine
CID 5329517

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine?
The IUPAC name of 6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine (CID 114787836) is 6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine?
The canonical SMILES for 6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine is CC(Oc1nc(N)nc2nc[nH]c12)C(F)(F)F.
What is the InChIKey of 6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine?
The InChIKey is CXRSIEJDNNGZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O/c1-3(8(9,10)11)17-6-4-5(14-2-13-4)15-7(12)16-6/h2-3H,1H3,(H3,12,13,14,15,16).
What are the key properties of 6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine?
6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine has a molecular weight of 247.18 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine is sourced from PubChem (CID 114787836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).