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

C6H5F2N5 — CID 154123352

IUPAC1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2C(F)F
InChIInChI=1S/C6H5F2N5/c7-6(8)13-5-3(1-12-13)4(9)10-2-11-5/h1-2,6H,(H2,9,10,11)
InChIKeyTZNVUFKWCHCPHC-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.80
Rot. Bonds1

About 1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 154123352) has the molecular formula C6H5F2N5 and a molecular weight of 185.14 g/mol. Its IUPAC name is 1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID154123352
Molecular FormulaC6H5F2N5
Molecular Weight185.14 g/mol
Exact Mass185.05
IUPAC Name1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2C(F)F
InChIInChI=1S/C6H5F2N5/c7-6(8)13-5-3(1-12-13)4(9)10-2-11-5/h1-2,6H,(H2,9,10,11)
InChIKeyTZNVUFKWCHCPHC-UHFFFAOYSA-N
XLogP0.80
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 154123352) is 1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1cnn2C(F)F.
What is the InChIKey of 1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is TZNVUFKWCHCPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N5/c7-6(8)13-5-3(1-12-13)4(9)10-2-11-5/h1-2,6H,(H2,9,10,11).
What are the key properties of 1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 185.14 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 154123352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).