2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine

C12H11F3N8 — CID 162650803

IUPAC2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
SMILESCc1cncc(Nc2nc(NCC(F)(F)F)c3[nH]cnc3n2)n1
InChIInChI=1S/C12H11F3N8/c1-6-2-16-3-7(20-6)21-11-22-9(17-4-12(13,14)15)8-10(23-11)19-5-18-8/h2-3,5H,4H2,1H3,(H3,17,18,19,20,21,22,23)
InChIKeyAINIBFTWGVHOAT-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.17
Rot. Bonds4

About 2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine

2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine (PubChem CID 162650803) has the molecular formula C12H11F3N8 and a molecular weight of 324.27 g/mol. Its IUPAC name is 2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
PubChem CID162650803
Molecular FormulaC12H11F3N8
Molecular Weight324.27 g/mol
Exact Mass324.11
IUPAC Name2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
SMILESCc1cncc(Nc2nc(NCC(F)(F)F)c3[nH]cnc3n2)n1
InChIInChI=1S/C12H11F3N8/c1-6-2-16-3-7(20-6)21-11-22-9(17-4-12(13,14)15)8-10(23-11)19-5-18-8/h2-3,5H,4H2,1H3,(H3,17,18,19,20,21,22,23)
InChIKeyAINIBFTWGVHOAT-UHFFFAOYSA-N
XLogP2.17
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine with MolForge

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Related Compounds

2-Aminopurine
CID 9955
Purine
CID 1044
6-(4-methylpiperazin-1-yl)-7H-purine
CID 756701
Dimethylaminopurine
CID 4312426
6-(4-Methylpiperazin-1-yl)-9H-purin-2-amine
CID 46228161
N-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine
CID 2155089
2-chloro-9-propan-2-yl-N-pyrimidin-5-ylpurin-6-amine
CID 71517520
9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine
CID 71518533
2-N-(1-methylpyrazol-4-yl)-6-N-(4,4,4-trifluorobutyl)-7H-purine-2,6-diamine
CID 162647682
2-N-(4-methylpyrimidin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162658372
N-(3-imidazol-1-ylpropyl)-7H-purin-6-amine
CID 4639586
N-(2-(1H-Imidazol-5-yl)ethyl)-9H-purin-6-amine
CID 74278

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine (CID 162650803) is 2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine is Cc1cncc(Nc2nc(NCC(F)(F)F)c3[nH]cnc3n2)n1.
What is the InChIKey of 2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
The InChIKey is AINIBFTWGVHOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N8/c1-6-2-16-3-7(20-6)21-11-22-9(17-4-12(13,14)15)8-10(23-11)19-5-18-8/h2-3,5H,4H2,1H3,(H3,17,18,19,20,21,22,23).
What are the key properties of 2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine has a molecular weight of 324.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 162650803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).