6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine

C12H16N4 — CID 115029744

IUPAC6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine
SMILESCCc1nn2cc(C3CCC3)cnc2c1N
InChIInChI=1S/C12H16N4/c1-2-10-11(13)12-14-6-9(7-16(12)15-10)8-4-3-5-8/h6-8H,2-5,13H2,1H3
InChIKeySOQXJBAIQNWMQY-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.14
Rot. Bonds2

About 6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine

6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine (PubChem CID 115029744) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine.

Molecular Properties

Compound Name6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine
PubChem CID115029744
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine
SMILESCCc1nn2cc(C3CCC3)cnc2c1N
InChIInChI=1S/C12H16N4/c1-2-10-11(13)12-14-6-9(7-16(12)15-10)8-4-3-5-8/h6-8H,2-5,13H2,1H3
InChIKeySOQXJBAIQNWMQY-UHFFFAOYSA-N
XLogP2.14
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine?
The IUPAC name of 6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine (CID 115029744) is 6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine.
What is the SMILES notation for 6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine?
The canonical SMILES for 6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine is CCc1nn2cc(C3CCC3)cnc2c1N.
What is the InChIKey of 6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine?
The InChIKey is SOQXJBAIQNWMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-10-11(13)12-14-6-9(7-16(12)15-10)8-4-3-5-8/h6-8H,2-5,13H2,1H3.
What are the key properties of 6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine?
6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine has a molecular weight of 216.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine is sourced from PubChem (CID 115029744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).