5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

C11H16N4 — CID 974687

IUPAC5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)(C)C)cc(N)n2n1
InChIInChI=1S/C11H16N4/c1-7-5-10-13-8(11(2,3)4)6-9(12)15(10)14-7/h5-6H,12H2,1-4H3
InChIKeyIJENBJXOQZDGFF-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.92
Rot. Bonds

About 5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 974687) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID974687
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)(C)C)cc(N)n2n1
InChIInChI=1S/C11H16N4/c1-7-5-10-13-8(11(2,3)4)6-9(12)15(10)14-7/h5-6H,12H2,1-4H3
InChIKeyIJENBJXOQZDGFF-UHFFFAOYSA-N
XLogP1.92
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 974687) is 5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc(C(C)(C)C)cc(N)n2n1.
What is the InChIKey of 5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IJENBJXOQZDGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-7-5-10-13-8(11(2,3)4)6-9(12)15(10)14-7/h5-6H,12H2,1-4H3.
What are the key properties of 5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 204.28 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 974687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).