1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one

C11H14N4O — CID 58252567

IUPAC1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc2ccnn2c1N
InChIInChI=1S/C11H14N4O/c1-11(2,3)9(16)7-6-13-8-4-5-14-15(8)10(7)12/h4-6H,12H2,1-3H3
InChIKeyJDMFDBLGOUPSOH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.54
Rot. Bonds1

About 1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one

1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one (PubChem CID 58252567) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one
PubChem CID58252567
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc2ccnn2c1N
InChIInChI=1S/C11H14N4O/c1-11(2,3)9(16)7-6-13-8-4-5-14-15(8)10(7)12/h4-6H,12H2,1-3H3
InChIKeyJDMFDBLGOUPSOH-UHFFFAOYSA-N
XLogP1.54
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one (CID 58252567) is 1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cnc2ccnn2c1N.
What is the InChIKey of 1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one?
The InChIKey is JDMFDBLGOUPSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-11(2,3)9(16)7-6-13-8-4-5-14-15(8)10(7)12/h4-6H,12H2,1-3H3.
What are the key properties of 1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one?
1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one has a molecular weight of 218.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58252567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).