N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine

C15H24N4O — CID 115888575

IUPACN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNC(C)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C15H24N4O/c1-6-20-11(3)8-16-12(4)14-9-17-15-7-10(2)18-19(15)13(14)5/h7,9,11-12,16H,6,8H2,1-5H3
InChIKeyWIXMWSHPYGIIBD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.42
Rot. Bonds6

About N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine

N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine (PubChem CID 115888575) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine
PubChem CID115888575
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNC(C)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C15H24N4O/c1-6-20-11(3)8-16-12(4)14-9-17-15-7-10(2)18-19(15)13(14)5/h7,9,11-12,16H,6,8H2,1-5H3
InChIKeyWIXMWSHPYGIIBD-UHFFFAOYSA-N
XLogP2.42
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine?
The IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine (CID 115888575) is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine.
What is the SMILES notation for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine?
The canonical SMILES for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine is CCOC(C)CNC(C)c1cnc2cc(C)nn2c1C.
What is the InChIKey of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine?
The InChIKey is WIXMWSHPYGIIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-6-20-11(3)8-16-12(4)14-9-17-15-7-10(2)18-19(15)13(14)5/h7,9,11-12,16H,6,8H2,1-5H3.
What are the key properties of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine?
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine is sourced from PubChem (CID 115888575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).