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

C14H22N4S — CID 115888540

IUPACN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NC(C)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C14H22N4S/c1-9-6-14-15-7-13(12(4)18(14)17-9)11(3)16-10(2)8-19-5/h6-7,10-11,16H,8H2,1-5H3
InChIKeyJYTOKXPUNNNAIA-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.75
Rot. Bonds5

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

N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylsulfanylpropan-2-amine (PubChem CID 115888540) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylsulfanylpropan-2-amine
PubChem CID115888540
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NC(C)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C14H22N4S/c1-9-6-14-15-7-13(12(4)18(14)17-9)11(3)16-10(2)8-19-5/h6-7,10-11,16H,8H2,1-5H3
InChIKeyJYTOKXPUNNNAIA-UHFFFAOYSA-N
XLogP2.75
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.75
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]-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylsulfanylpropan-2-amine (CID 115888540) is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylsulfanylpropan-2-amine is CSCC(C)NC(C)c1cnc2cc(C)nn2c1C.
What is the InChIKey of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylsulfanylpropan-2-amine?
The InChIKey is JYTOKXPUNNNAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-9-6-14-15-7-13(12(4)18(14)17-9)11(3)16-10(2)8-19-5/h6-7,10-11,16H,8H2,1-5H3.
What are the key properties of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylsulfanylpropan-2-amine?
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylsulfanylpropan-2-amine has a molecular weight of 278.43 g/mol, XLogP of 2.75, 5 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]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 115888540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).