6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine

C11H10F3N7S — CID 75522243

IUPAC6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine
SMILESCN(Cc1nc(C(F)(F)F)cs1)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H10F3N7S/c1-21(2-6-18-5(3-22-6)11(12,13)14)9-7-8(17-4-16-7)19-10(15)20-9/h3-4H,2H2,1H3,(H3,15,16,17,19,20)
InChIKeyAXMBUZXBVUSLSG-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.05
Rot. Bonds3

About 6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine

6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine (PubChem CID 75522243) has the molecular formula C11H10F3N7S and a molecular weight of 329.31 g/mol. Its IUPAC name is 6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine
PubChem CID75522243
Molecular FormulaC11H10F3N7S
Molecular Weight329.31 g/mol
Exact Mass329.07
IUPAC Name6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine
SMILESCN(Cc1nc(C(F)(F)F)cs1)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H10F3N7S/c1-21(2-6-18-5(3-22-6)11(12,13)14)9-7-8(17-4-16-7)19-10(15)20-9/h3-4H,2H2,1H3,(H3,15,16,17,19,20)
InChIKeyAXMBUZXBVUSLSG-UHFFFAOYSA-N
XLogP2.05
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine (CID 75522243) is 6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine is CN(Cc1nc(C(F)(F)F)cs1)c1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine?
The InChIKey is AXMBUZXBVUSLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N7S/c1-21(2-6-18-5(3-22-6)11(12,13)14)9-7-8(17-4-16-7)19-10(15)20-9/h3-4H,2H2,1H3,(H3,15,16,17,19,20).
What are the key properties of 6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine?
6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine has a molecular weight of 329.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 75522243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).