1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine

C13H10F3N5 — CID 169223341

IUPAC1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1ncc2cnn(Cc3ccc(C(F)(F)F)cc3)c2n1
InChIInChI=1S/C13H10F3N5/c14-13(15,16)10-3-1-8(2-4-10)7-21-11-9(6-19-21)5-18-12(17)20-11/h1-6H,7H2,(H2,17,18,20)
InChIKeyKUYNFKZYJJGLOA-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.48
Rot. Bonds2

About 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine

1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 169223341) has the molecular formula C13H10F3N5 and a molecular weight of 293.25 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID169223341
Molecular FormulaC13H10F3N5
Molecular Weight293.25 g/mol
Exact Mass293.09
IUPAC Name1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1ncc2cnn(Cc3ccc(C(F)(F)F)cc3)c2n1
InChIInChI=1S/C13H10F3N5/c14-13(15,16)10-3-1-8(2-4-10)7-21-11-9(6-19-21)5-18-12(17)20-11/h1-6H,7H2,(H2,17,18,20)
InChIKeyKUYNFKZYJJGLOA-UHFFFAOYSA-N
XLogP2.48
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]prop-2-enamide
CID 169173098
3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 115068648
2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
CID 115068627
5-iodo-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 114553349
6-(trifluoromethyl)quinazolin-2-amine
CID 10584686
6-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913995
2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
CID 115069321
5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 103218535
5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10610924
[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine
CID 62727284
1-[(4-tert-butylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16778913
2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]-1,2,4-triazine-3,5-dione
CID 167252407

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine (CID 169223341) is 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine is Nc1ncc2cnn(Cc3ccc(C(F)(F)F)cc3)c2n1.
What is the InChIKey of 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is KUYNFKZYJJGLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5/c14-13(15,16)10-3-1-8(2-4-10)7-21-11-9(6-19-21)5-18-12(17)20-11/h1-6H,7H2,(H2,17,18,20).
What are the key properties of 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine?
1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 293.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 169223341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).