1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

C11H15F3N6 — CID 136536707

IUPAC1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCC(CC(F)(F)F)Nc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C11H15F3N6/c1-3-6(4-11(12,13)14)17-10-18-8(15)7-5-16-20(2)9(7)19-10/h5-6H,3-4H2,1-2H3,(H3,15,17,18,19)
InChIKeyHBAYHULHKATHHR-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.09
Rot. Bonds4

About 1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 136536707) has the molecular formula C11H15F3N6 and a molecular weight of 288.28 g/mol. Its IUPAC name is 1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID136536707
Molecular FormulaC11H15F3N6
Molecular Weight288.28 g/mol
Exact Mass288.13
IUPAC Name1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCC(CC(F)(F)F)Nc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C11H15F3N6/c1-3-6(4-11(12,13)14)17-10-18-8(15)7-5-16-20(2)9(7)19-10/h5-6H,3-4H2,1-2H3,(H3,15,17,18,19)
InChIKeyHBAYHULHKATHHR-UHFFFAOYSA-N
XLogP2.09
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 125139178
6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 134713892
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol
CID 166231918
(2S)-2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-4-methylpentanoic acid
CID 122050089
1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220885
6-N-(2,2-diphenylethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 86804856
1-methyl-6-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 124628425
6-N-[(2S)-1-aminobutan-2-yl]-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 166036460
2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine
CID 63222071
6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82006619
6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 29091132
1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 107756543

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 136536707) is 1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is CCC(CC(F)(F)F)Nc1nc(N)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is HBAYHULHKATHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N6/c1-3-6(4-11(12,13)14)17-10-18-8(15)7-5-16-20(2)9(7)19-10/h5-6H,3-4H2,1-2H3,(H3,15,17,18,19).
What are the key properties of 1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 288.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-N-(1,1,1-trifluoropentan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 136536707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).