methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate

C15H22N4O2 — CID 43725802

IUPACmethyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C15H22N4O2/c1-9-7-13-16-8-12(11(3)19(13)18-9)10(2)17-15(4,5)14(20)21-6/h7-8,10,17H,1-6H3
InChIKeyDBXFLTZQAPALSM-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.95
Rot. Bonds4

About methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate

methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate (PubChem CID 43725802) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate
PubChem CID43725802
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Namemethyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C15H22N4O2/c1-9-7-13-16-8-12(11(3)19(13)18-9)10(2)17-15(4,5)14(20)21-6/h7-8,10,17H,1-6H3
InChIKeyDBXFLTZQAPALSM-UHFFFAOYSA-N
XLogP1.95
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate (CID 43725802) is methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate is COC(=O)C(C)(C)NC(C)c1cnc2cc(C)nn2c1C.
What is the InChIKey of methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate?
The InChIKey is DBXFLTZQAPALSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-9-7-13-16-8-12(11(3)19(13)18-9)10(2)17-15(4,5)14(20)21-6/h7-8,10,17H,1-6H3.
What are the key properties of methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate?
methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate has a molecular weight of 290.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate is sourced from PubChem (CID 43725802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).