methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate

C10H10N4O3S — CID 23546047

IUPACmethyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate
SMILESCOC(=O)CS(=O)c1nccc(-n2cccn2)n1
InChIInChI=1S/C10H10N4O3S/c1-17-9(15)7-18(16)10-11-5-3-8(13-10)14-6-2-4-12-14/h2-6H,7H2,1H3
InChIKeyCCXTVQZRYANYSN-UHFFFAOYSA-N
MW266.28 g/mol
LogP-0.06
Rot. Bonds4

About methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate

methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate (PubChem CID 23546047) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate.

Molecular Properties

Compound Namemethyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate
PubChem CID23546047
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Namemethyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate
SMILESCOC(=O)CS(=O)c1nccc(-n2cccn2)n1
InChIInChI=1S/C10H10N4O3S/c1-17-9(15)7-18(16)10-11-5-3-8(13-10)14-6-2-4-12-14/h2-6H,7H2,1H3
InChIKeyCCXTVQZRYANYSN-UHFFFAOYSA-N
XLogP-0.06
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate?
The IUPAC name of methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate (CID 23546047) is methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate.
What is the SMILES notation for methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate?
The canonical SMILES for methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate is COC(=O)CS(=O)c1nccc(-n2cccn2)n1.
What is the InChIKey of methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate?
The InChIKey is CCXTVQZRYANYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-17-9(15)7-18(16)10-11-5-3-8(13-10)14-6-2-4-12-14/h2-6H,7H2,1H3.
What are the key properties of methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate?
methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate has a molecular weight of 266.28 g/mol, XLogP of -0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfinylacetate is sourced from PubChem (CID 23546047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).