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

C16H19N5O2S — CID 46189935

IUPAC6-(aminomethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19N5O2S/c1-10-13(9-17)11(2)21-16(19-10)14(15(18-3)20-21)24(22,23)12-7-5-4-6-8-12/h4-8H,9,17H2,1-3H3,(H,18,20)
InChIKeyMDPSXQAHCIOACT-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.68
Rot. Bonds4

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

6-(aminomethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 46189935) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(aminomethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID46189935
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name6-(aminomethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19N5O2S/c1-10-13(9-17)11(2)21-16(19-10)14(15(18-3)20-21)24(22,23)12-7-5-4-6-8-12/h4-8H,9,17H2,1-3H3,(H,18,20)
InChIKeyMDPSXQAHCIOACT-UHFFFAOYSA-N
XLogP1.68
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 6-(aminomethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 46189935) is 6-(aminomethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 6-(aminomethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 6-(aminomethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 6-(aminomethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is MDPSXQAHCIOACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10-13(9-17)11(2)21-16(19-10)14(15(18-3)20-21)24(22,23)12-7-5-4-6-8-12/h4-8H,9,17H2,1-3H3,(H,18,20).
What are the key properties of 6-(aminomethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
6-(aminomethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 345.43 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 46189935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).