6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine

C17H21N5O2S — CID 46189980

IUPAC6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)c(CCN)c(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H21N5O2S/c1-11-14(9-10-18)12(2)22-17(20-11)15(16(19-3)21-22)25(23,24)13-7-5-4-6-8-13/h4-8H,9-10,18H2,1-3H3,(H,19,21)
InChIKeyTUVYXOIGALSWMM-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.72
Rot. Bonds5

About 6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine

6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 46189980) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID46189980
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)c(CCN)c(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H21N5O2S/c1-11-14(9-10-18)12(2)22-17(20-11)15(16(19-3)21-22)25(23,24)13-7-5-4-6-8-13/h4-8H,9-10,18H2,1-3H3,(H,19,21)
InChIKeyTUVYXOIGALSWMM-UHFFFAOYSA-N
XLogP1.72
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 46189980) is 6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(C)c(CCN)c(C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is TUVYXOIGALSWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-11-14(9-10-18)12(2)22-17(20-11)15(16(19-3)21-22)25(23,24)13-7-5-4-6-8-13/h4-8H,9-10,18H2,1-3H3,(H,19,21).
What are the key properties of 6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 359.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 46189980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).