1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C12H17F3N6 — CID 63220885

IUPAC1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)N(Cc1nc(N)c2cnn(C)c2n1)CC(F)(F)F
InChIInChI=1S/C12H17F3N6/c1-7(2)21(6-12(13,14)15)5-9-18-10(16)8-4-17-20(3)11(8)19-9/h4,7H,5-6H2,1-3H3,(H2,16,18,19)
InChIKeyKCOQYVCGTPRQJG-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.72
Rot. Bonds4

About 1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63220885) has the molecular formula C12H17F3N6 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63220885
Molecular FormulaC12H17F3N6
Molecular Weight302.30 g/mol
Exact Mass302.15
IUPAC Name1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)N(Cc1nc(N)c2cnn(C)c2n1)CC(F)(F)F
InChIInChI=1S/C12H17F3N6/c1-7(2)21(6-12(13,14)15)5-9-18-10(16)8-4-17-20(3)11(8)19-9/h4,7H,5-6H2,1-3H3,(H2,16,18,19)
InChIKeyKCOQYVCGTPRQJG-UHFFFAOYSA-N
XLogP1.72
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine 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 1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 63220885) is 1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)N(Cc1nc(N)c2cnn(C)c2n1)CC(F)(F)F.
What is the InChIKey of 1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KCOQYVCGTPRQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N6/c1-7(2)21(6-12(13,14)15)5-9-18-10(16)8-4-17-20(3)11(8)19-9/h4,7H,5-6H2,1-3H3,(H2,16,18,19).
What are the key properties of 1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 302.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63220885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).