6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C16H18N4 — CID 13133084

IUPAC6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)c1ccc(-c2cnc3ccnn3c2N)cc1
InChIInChI=1S/C16H18N4/c1-16(2,3)12-6-4-11(5-7-12)13-10-18-14-8-9-19-20(14)15(13)17/h4-10H,17H2,1-3H3
InChIKeyIOKPCGMQPUHRCK-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.28
Rot. Bonds1

About 6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 13133084) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID13133084
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)c1ccc(-c2cnc3ccnn3c2N)cc1
InChIInChI=1S/C16H18N4/c1-16(2,3)12-6-4-11(5-7-12)13-10-18-14-8-9-19-20(14)15(13)17/h4-10H,17H2,1-3H3
InChIKeyIOKPCGMQPUHRCK-UHFFFAOYSA-N
XLogP3.28
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 13133084) is 6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)(C)c1ccc(-c2cnc3ccnn3c2N)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IOKPCGMQPUHRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-16(2,3)12-6-4-11(5-7-12)13-10-18-14-8-9-19-20(14)15(13)17/h4-10H,17H2,1-3H3.
What are the key properties of 6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 266.35 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 13133084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).