3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine

C10H13FN4 — CID 164955557

IUPAC3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCC(C)(C)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C10H13FN4/c1-10(2,3)7-8(12)14-15-5-6(11)4-13-9(7)15/h4-5H,1-3H3,(H2,12,14)
InChIKeyBCVZCRUQZRTVMZ-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.75
Rot. Bonds

About 3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine

3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 164955557) has the molecular formula C10H13FN4 and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID164955557
Molecular FormulaC10H13FN4
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCC(C)(C)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C10H13FN4/c1-10(2,3)7-8(12)14-15-5-6(11)4-13-9(7)15/h4-5H,1-3H3,(H2,12,14)
InChIKeyBCVZCRUQZRTVMZ-UHFFFAOYSA-N
XLogP1.75
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine (CID 164955557) is 3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine is CC(C)(C)c1c(N)nn2cc(F)cnc12.
What is the InChIKey of 3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is BCVZCRUQZRTVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4/c1-10(2,3)7-8(12)14-15-5-6(11)4-13-9(7)15/h4-5H,1-3H3,(H2,12,14).
What are the key properties of 3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine?
3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 208.24 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 164955557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).