3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C6H5F2N5 — CID 151638394

IUPAC3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(F)c2c(N)nc(F)nc21
InChIInChI=1S/C6H5F2N5/c1-13-5-2(3(7)12-13)4(9)10-6(8)11-5/h1H3,(H2,9,10,11)
InChIKeyQRZRNIWOSNMTSC-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.22
Rot. Bonds

About 3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 151638394) has the molecular formula C6H5F2N5 and a molecular weight of 185.14 g/mol. Its IUPAC name is 3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID151638394
Molecular FormulaC6H5F2N5
Molecular Weight185.14 g/mol
Exact Mass185.05
IUPAC Name3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(F)c2c(N)nc(F)nc21
InChIInChI=1S/C6H5F2N5/c1-13-5-2(3(7)12-13)4(9)10-6(8)11-5/h1H3,(H2,9,10,11)
InChIKeyQRZRNIWOSNMTSC-UHFFFAOYSA-N
XLogP0.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 151638394) is 3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1nc(F)c2c(N)nc(F)nc21.
What is the InChIKey of 3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QRZRNIWOSNMTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N5/c1-13-5-2(3(7)12-13)4(9)10-6(8)11-5/h1H3,(H2,9,10,11).
What are the key properties of 3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 185.14 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 151638394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).