3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

C6H5F3N6 — CID 115030401

IUPAC3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESNc1nc(N)c2c(C(F)(F)F)[nH]nc2n1
InChIInChI=1S/C6H5F3N6/c7-6(8,9)2-1-3(10)12-5(11)13-4(1)15-14-2/h(H5,10,11,12,13,14,15)
InChIKeyYHSGDSZNLJDXED-UHFFFAOYSA-N
MW218.14 g/mol
LogP0.54
Rot. Bonds

About 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 115030401) has the molecular formula C6H5F3N6 and a molecular weight of 218.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID115030401
Molecular FormulaC6H5F3N6
Molecular Weight218.14 g/mol
Exact Mass218.05
IUPAC Name3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESNc1nc(N)c2c(C(F)(F)F)[nH]nc2n1
InChIInChI=1S/C6H5F3N6/c7-6(8,9)2-1-3(10)12-5(11)13-4(1)15-14-2/h(H5,10,11,12,13,14,15)
InChIKeyYHSGDSZNLJDXED-UHFFFAOYSA-N
XLogP0.54
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 115042324
3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 133058538
3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168968543
4-(4,6-diamino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)but-3-yn-1-ol
CID 22145348
3-(3-fluoro-5-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 154081353
5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine
CID 91620948
5-(trifluoromethyl)-1H-imidazole-2,4-diamine
CID 69332688
3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 55271281
2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraen-6-amine
CID 154111959
6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 140573828
4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 64560664
4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 70630474

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 115030401) is 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is Nc1nc(N)c2c(C(F)(F)F)[nH]nc2n1.
What is the InChIKey of 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is YHSGDSZNLJDXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N6/c7-6(8,9)2-1-3(10)12-5(11)13-4(1)15-14-2/h(H5,10,11,12,13,14,15).
What are the key properties of 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 218.14 g/mol, XLogP of 0.54, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 115030401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).