6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine

C13H9F6N7 — CID 162677125

IUPAC6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine
SMILESFC(F)(F)CNc1nc(Nc2ccc(C(F)(F)F)nc2)nc2nc[nH]c12
InChIInChI=1S/C13H9F6N7/c14-12(15,16)4-21-9-8-10(23-5-22-8)26-11(25-9)24-6-1-2-7(20-3-6)13(17,18)19/h1-3,5H,4H2,(H3,21,22,23,24,25,26)
InChIKeyAGINFSHVVJHXDD-UHFFFAOYSA-N
MW377.25 g/mol
LogP3.48
Rot. Bonds4

About 6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine

6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine (PubChem CID 162677125) has the molecular formula C13H9F6N7 and a molecular weight of 377.25 g/mol. Its IUPAC name is 6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine
PubChem CID162677125
Molecular FormulaC13H9F6N7
Molecular Weight377.25 g/mol
Exact Mass377.08
IUPAC Name6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine
SMILESFC(F)(F)CNc1nc(Nc2ccc(C(F)(F)F)nc2)nc2nc[nH]c12
InChIInChI=1S/C13H9F6N7/c14-12(15,16)4-21-9-8-10(23-5-22-8)26-11(25-9)24-6-1-2-7(20-3-6)13(17,18)19/h1-3,5H,4H2,(H3,21,22,23,24,25,26)
InChIKeyAGINFSHVVJHXDD-UHFFFAOYSA-N
XLogP3.48
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine with MolForge

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Related Compounds

2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
N-[3-[[6-(2,2-dimethylpropylamino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide
CID 69239763
2-N-(4-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 71201225
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114783680
N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
CID 106280666
ethane;fluoromethane;2-N-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 143437066
6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine
CID 11553684
N-(1H-imidazol-2-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106578677
6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784398
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine (CID 162677125) is 6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine is FC(F)(F)CNc1nc(Nc2ccc(C(F)(F)F)nc2)nc2nc[nH]c12.
What is the InChIKey of 6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine?
The InChIKey is AGINFSHVVJHXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6N7/c14-12(15,16)4-21-9-8-10(23-5-22-8)26-11(25-9)24-6-1-2-7(20-3-6)13(17,18)19/h1-3,5H,4H2,(H3,21,22,23,24,25,26).
What are the key properties of 6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine?
6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine has a molecular weight of 377.25 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 162677125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).