2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide

C11H13N5OS — CID 107548691

IUPAC2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(Oc2cc(C)nn2C)n1
InChIInChI=1S/C11H13N5OS/c1-6-4-8(10(12)18)14-11(13-6)17-9-5-7(2)15-16(9)3/h4-5H,1-3H3,(H2,12,18)
InChIKeyGXQXUVZFMYAYND-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.25
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide

2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide (PubChem CID 107548691) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide
PubChem CID107548691
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(Oc2cc(C)nn2C)n1
InChIInChI=1S/C11H13N5OS/c1-6-4-8(10(12)18)14-11(13-6)17-9-5-7(2)15-16(9)3/h4-5H,1-3H3,(H2,12,18)
InChIKeyGXQXUVZFMYAYND-UHFFFAOYSA-N
XLogP1.25
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide (CID 107548691) is 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide is Cc1cc(C(N)=S)nc(Oc2cc(C)nn2C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide?
The InChIKey is GXQXUVZFMYAYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-6-4-8(10(12)18)14-11(13-6)17-9-5-7(2)15-16(9)3/h4-5H,1-3H3,(H2,12,18).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide?
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide has a molecular weight of 263.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide is sourced from PubChem (CID 107548691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).