3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine

C15H17N5O2S — CID 46189932

IUPAC3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine
SMILESCNc1nn2c(C)c(N)c(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N5O2S/c1-9-12(16)10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)11-7-5-4-6-8-11/h4-8H,16H2,1-3H3,(H,17,19)
InChIKeyYHKIJBNGHXIOTN-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.80
Rot. Bonds3

About 3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine

3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine (PubChem CID 46189932) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine
PubChem CID46189932
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine
SMILESCNc1nn2c(C)c(N)c(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N5O2S/c1-9-12(16)10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)11-7-5-4-6-8-11/h4-8H,16H2,1-3H3,(H,17,19)
InChIKeyYHKIJBNGHXIOTN-UHFFFAOYSA-N
XLogP1.80
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine?
The IUPAC name of 3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine (CID 46189932) is 3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine.
What is the SMILES notation for 3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine?
The canonical SMILES for 3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine is CNc1nn2c(C)c(N)c(C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine?
The InChIKey is YHKIJBNGHXIOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-9-12(16)10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)11-7-5-4-6-8-11/h4-8H,16H2,1-3H3,(H,17,19).
What are the key properties of 3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine?
3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine has a molecular weight of 331.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine is sourced from PubChem (CID 46189932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).