2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine

C14H22N4 — CID 2060523

IUPAC2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)c1cc(N)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C14H22N4/c1-13(2,3)9-7-11(15)18-12(16-9)8-10(17-18)14(4,5)6/h7-8H,15H2,1-6H3
InChIKeySAUFGSXNXZLMQE-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.91
Rot. Bonds

About 2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine

2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 2060523) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID2060523
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)c1cc(N)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C14H22N4/c1-13(2,3)9-7-11(15)18-12(16-9)8-10(17-18)14(4,5)6/h7-8H,15H2,1-6H3
InChIKeySAUFGSXNXZLMQE-UHFFFAOYSA-N
XLogP2.91
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine (CID 2060523) is 2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)(C)c1cc(N)n2nc(C(C)(C)C)cc2n1.
What is the InChIKey of 2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SAUFGSXNXZLMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-13(2,3)9-7-11(15)18-12(16-9)8-10(17-18)14(4,5)6/h7-8H,15H2,1-6H3.
What are the key properties of 2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine?
2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 246.36 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 2060523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).