methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate

C14H20N4O2 — CID 43322248

IUPACmethyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate
SMILESCOC(=O)CCNC(C)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C14H20N4O2/c1-9-7-13-16-8-12(11(3)18(13)17-9)10(2)15-6-5-14(19)20-4/h7-8,10,15H,5-6H2,1-4H3
InChIKeyODQOKOWTKPLOIG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.56
Rot. Bonds5

About methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate

methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate (PubChem CID 43322248) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate
PubChem CID43322248
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Namemethyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate
SMILESCOC(=O)CCNC(C)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C14H20N4O2/c1-9-7-13-16-8-12(11(3)18(13)17-9)10(2)15-6-5-14(19)20-4/h7-8,10,15H,5-6H2,1-4H3
InChIKeyODQOKOWTKPLOIG-UHFFFAOYSA-N
XLogP1.56
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate?
The IUPAC name of methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate (CID 43322248) is methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate?
The canonical SMILES for methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate is COC(=O)CCNC(C)c1cnc2cc(C)nn2c1C.
What is the InChIKey of methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate?
The InChIKey is ODQOKOWTKPLOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-7-13-16-8-12(11(3)18(13)17-9)10(2)15-6-5-14(19)20-4/h7-8,10,15H,5-6H2,1-4H3.
What are the key properties of methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate?
methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate has a molecular weight of 276.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate is sourced from PubChem (CID 43322248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).