4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine

C9H9F3N4 — CID 134241407

IUPAC4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine
SMILESCc1nc(C)c2cn(CC(F)(F)F)nc2n1
InChIInChI=1S/C9H9F3N4/c1-5-7-3-16(4-9(10,11)12)15-8(7)14-6(2)13-5/h3H,4H2,1-2H3
InChIKeyXJQNYVYRYADQQO-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.01
Rot. Bonds1

About 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine

4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 134241407) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine
PubChem CID134241407
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine
SMILESCc1nc(C)c2cn(CC(F)(F)F)nc2n1
InChIInChI=1S/C9H9F3N4/c1-5-7-3-16(4-9(10,11)12)15-8(7)14-6(2)13-5/h3H,4H2,1-2H3
InChIKeyXJQNYVYRYADQQO-UHFFFAOYSA-N
XLogP2.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine (CID 134241407) is 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine is Cc1nc(C)c2cn(CC(F)(F)F)nc2n1.
What is the InChIKey of 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is XJQNYVYRYADQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-5-7-3-16(4-9(10,11)12)15-8(7)14-6(2)13-5/h3H,4H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine?
4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 230.19 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 134241407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).