1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea

C11H12N4O3S2 — CID 15149565

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea
SMILESCc1cc(C)nc(NC(=O)NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C11H12N4O3S2/c1-7-6-8(2)13-10(12-7)14-11(16)15-20(17,18)9-4-3-5-19-9/h3-6H,1-2H3,(H2,12,13,14,15,16)
InChIKeyIBDCEWGNSYXESG-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.67
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea

1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea (PubChem CID 15149565) has the molecular formula C11H12N4O3S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea
PubChem CID15149565
Molecular FormulaC11H12N4O3S2
Molecular Weight312.38 g/mol
Exact Mass312.04
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea
SMILESCc1cc(C)nc(NC(=O)NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C11H12N4O3S2/c1-7-6-8(2)13-10(12-7)14-11(16)15-20(17,18)9-4-3-5-19-9/h3-6H,1-2H3,(H2,12,13,14,15,16)
InChIKeyIBDCEWGNSYXESG-UHFFFAOYSA-N
XLogP1.67
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea (CID 15149565) is 1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea is Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2cccs2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea?
The InChIKey is IBDCEWGNSYXESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S2/c1-7-6-8(2)13-10(12-7)14-11(16)15-20(17,18)9-4-3-5-19-9/h3-6H,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea?
1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea has a molecular weight of 312.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea is sourced from PubChem (CID 15149565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).