3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C6H5F2N5 — CID 141364758

IUPAC3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(C(F)F)c12
InChIInChI=1S/C6H5F2N5/c7-4(8)3-2-5(9)10-1-11-6(2)13-12-3/h1,4H,(H3,9,10,11,12,13)
InChIKeyUQJLMRLEENFTMI-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.87
Rot. Bonds1

About 3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 141364758) has the molecular formula C6H5F2N5 and a molecular weight of 185.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID141364758
Molecular FormulaC6H5F2N5
Molecular Weight185.14 g/mol
Exact Mass185.05
IUPAC Name3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(C(F)F)c12
InChIInChI=1S/C6H5F2N5/c7-4(8)3-2-5(9)10-1-11-6(2)13-12-3/h1,4H,(H3,9,10,11,12,13)
InChIKeyUQJLMRLEENFTMI-UHFFFAOYSA-N
XLogP0.87
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 141364758) is 3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2n[nH]c(C(F)F)c12.
What is the InChIKey of 3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UQJLMRLEENFTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N5/c7-4(8)3-2-5(9)10-1-11-6(2)13-12-3/h1,4H,(H3,9,10,11,12,13).
What are the key properties of 3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 185.14 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 141364758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).