3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C7H6F3N5 — CID 133058538

IUPAC3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1[nH]nc2nc(C(F)(F)F)nc(N)c12
InChIInChI=1S/C7H6F3N5/c1-2-3-4(11)12-6(7(8,9)10)13-5(3)15-14-2/h1H3,(H3,11,12,13,14,15)
InChIKeyYHJCEZRWCFUIBN-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.26
Rot. Bonds

About 3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 133058538) has the molecular formula C7H6F3N5 and a molecular weight of 217.15 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID133058538
Molecular FormulaC7H6F3N5
Molecular Weight217.15 g/mol
Exact Mass217.06
IUPAC Name3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1[nH]nc2nc(C(F)(F)F)nc(N)c12
InChIInChI=1S/C7H6F3N5/c1-2-3-4(11)12-6(7(8,9)10)13-5(3)15-14-2/h1H3,(H3,11,12,13,14,15)
InChIKeyYHJCEZRWCFUIBN-UHFFFAOYSA-N
XLogP1.26
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 115030401
6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 115042324
5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride
CID 165431141
4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
CID 52987827
3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine
CID 166898336
4-amino-2-(trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 82393357
4,5-dimethyl-1H-pyrazol-3-amine
CID 4737029
5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine
CID 174486130
2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 151254482
3-methyl-4-(trifluoromethyl)-2H-indazole
CID 70840993
3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one
CID 23661464
4-bromo-3-methyl-7-(trifluoromethyl)-2H-indazole
CID 118992187

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 133058538) is 3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Cc1[nH]nc2nc(C(F)(F)F)nc(N)c12.
What is the InChIKey of 3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YHJCEZRWCFUIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5/c1-2-3-4(11)12-6(7(8,9)10)13-5(3)15-14-2/h1H3,(H3,11,12,13,14,15).
What are the key properties of 3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 217.15 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133058538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).