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

C6H6FN5 — CID 58269258

IUPAC6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(F)nc21
InChIInChI=1S/C6H6FN5/c1-12-5-3(2-9-12)4(8)10-6(7)11-5/h2H,1H3,(H2,8,10,11)
InChIKeyNUNIAFBNJZWTQZ-UHFFFAOYSA-N
MW167.15 g/mol
LogP0.08
Rot. Bonds

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

6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 58269258) has the molecular formula C6H6FN5 and a molecular weight of 167.15 g/mol. Its IUPAC name is 6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID58269258
Molecular FormulaC6H6FN5
Molecular Weight167.15 g/mol
Exact Mass167.06
IUPAC Name6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(F)nc21
InChIInChI=1S/C6H6FN5/c1-12-5-3(2-9-12)4(8)10-6(7)11-5/h2H,1H3,(H2,8,10,11)
InChIKeyNUNIAFBNJZWTQZ-UHFFFAOYSA-N
XLogP0.08
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 58269258) is 6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(N)nc(F)nc21.
What is the InChIKey of 6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NUNIAFBNJZWTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN5/c1-12-5-3(2-9-12)4(8)10-6(7)11-5/h2H,1H3,(H2,8,10,11).
What are the key properties of 6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 167.15 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 58269258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).