2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine

C11H9F3N8 — CID 162674423

IUPAC2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
SMILESFC(F)(F)CNc1nc(Nc2ccncn2)nc2nc[nH]c12
InChIInChI=1S/C11H9F3N8/c12-11(13,14)3-16-8-7-9(19-5-18-7)22-10(21-8)20-6-1-2-15-4-17-6/h1-2,4-5H,3H2,(H3,15,16,17,18,19,20,21,22)
InChIKeyDBRQWXGUGMKBGN-UHFFFAOYSA-N
MW310.24 g/mol
LogP1.86
Rot. Bonds4

About 2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine

2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine (PubChem CID 162674423) has the molecular formula C11H9F3N8 and a molecular weight of 310.24 g/mol. Its IUPAC name is 2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
PubChem CID162674423
Molecular FormulaC11H9F3N8
Molecular Weight310.24 g/mol
Exact Mass310.09
IUPAC Name2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
SMILESFC(F)(F)CNc1nc(Nc2ccncn2)nc2nc[nH]c12
InChIInChI=1S/C11H9F3N8/c12-11(13,14)3-16-8-7-9(19-5-18-7)22-10(21-8)20-6-1-2-15-4-17-6/h1-2,4-5H,3H2,(H3,15,16,17,18,19,20,21,22)
InChIKeyDBRQWXGUGMKBGN-UHFFFAOYSA-N
XLogP1.86
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-Aminopurine
CID 9955
Purine
CID 1044
2-chloro-7H-purine
CID 519314
Dimethylaminopurine
CID 4312426
2-N-(1-methylpyrazol-4-yl)-6-N-(4,4,4-trifluorobutyl)-7H-purine-2,6-diamine
CID 162647682
2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162650803
2-N-(4-methylpyrimidin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162658372
2-N-(2-ethylpyrazol-3-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162660801
2-N-(2-methylpyrazol-3-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162673641
N-(3-imidazol-1-ylpropyl)-7H-purin-6-amine
CID 4639586
N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine
CID 4574429
8-(Trifluoromethyl)-9H-purin-2-amine
CID 352873

Frequently Asked Questions

What is the IUPAC name of 2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine (CID 162674423) is 2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine is FC(F)(F)CNc1nc(Nc2ccncn2)nc2nc[nH]c12.
What is the InChIKey of 2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
The InChIKey is DBRQWXGUGMKBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N8/c12-11(13,14)3-16-8-7-9(19-5-18-7)22-10(21-8)20-6-1-2-15-4-17-6/h1-2,4-5H,3H2,(H3,15,16,17,18,19,20,21,22).
What are the key properties of 2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine has a molecular weight of 310.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 162674423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).