6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine

C11H15N5S — CID 80889243

IUPAC6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Sc1cc(C)nn1C
InChIInChI=1S/C11H15N5S/c1-4-8-10(12)13-6-14-11(8)17-9-5-7(2)15-16(9)3/h5-6H,4H2,1-3H3,(H2,12,13,14)
InChIKeySTZVVWFVDLKZPI-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.81
Rot. Bonds3

About 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine

6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine (PubChem CID 80889243) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine
PubChem CID80889243
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Sc1cc(C)nn1C
InChIInChI=1S/C11H15N5S/c1-4-8-10(12)13-6-14-11(8)17-9-5-7(2)15-16(9)3/h5-6H,4H2,1-3H3,(H2,12,13,14)
InChIKeySTZVVWFVDLKZPI-UHFFFAOYSA-N
XLogP1.81
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine (CID 80889243) is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine is CCc1c(N)ncnc1Sc1cc(C)nn1C.
What is the InChIKey of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine?
The InChIKey is STZVVWFVDLKZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-4-8-10(12)13-6-14-11(8)17-9-5-7(2)15-16(9)3/h5-6H,4H2,1-3H3,(H2,12,13,14).
What are the key properties of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine?
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine has a molecular weight of 249.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 80889243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).