3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine

C11H16N6O2S — CID 102826168

IUPAC3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine
SMILESCCNc1nn(-c2cc(C)ncn2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C11H16N6O2S/c1-4-13-11-9(20(3,18)19)10(12)17(16-11)8-5-7(2)14-6-15-8/h5-6H,4,12H2,1-3H3,(H,13,16)
InChIKeyUKNYGESEAPMCBW-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.39
Rot. Bonds4

About 3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine

3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine (PubChem CID 102826168) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine
PubChem CID102826168
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine
SMILESCCNc1nn(-c2cc(C)ncn2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C11H16N6O2S/c1-4-13-11-9(20(3,18)19)10(12)17(16-11)8-5-7(2)14-6-15-8/h5-6H,4,12H2,1-3H3,(H,13,16)
InChIKeyUKNYGESEAPMCBW-UHFFFAOYSA-N
XLogP0.39
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine?
The IUPAC name of 3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine (CID 102826168) is 3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine?
The canonical SMILES for 3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine is CCNc1nn(-c2cc(C)ncn2)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine?
The InChIKey is UKNYGESEAPMCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-4-13-11-9(20(3,18)19)10(12)17(16-11)8-5-7(2)14-6-15-8/h5-6H,4,12H2,1-3H3,(H,13,16).
What are the key properties of 3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine?
3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine has a molecular weight of 296.36 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine is sourced from PubChem (CID 102826168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).