1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea

C15H18N4O6S — CID 22713103

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea
SMILESCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H18N4O6S/c1-4-25-10-7-5-6-8-11(10)26(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyYKPMGPZYOXHYSO-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.40
Rot. Bonds7

About 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea

1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea (PubChem CID 22713103) has the molecular formula C15H18N4O6S and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea
PubChem CID22713103
Molecular FormulaC15H18N4O6S
Molecular Weight382.40 g/mol
Exact Mass382.09
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea
SMILESCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H18N4O6S/c1-4-25-10-7-5-6-8-11(10)26(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyYKPMGPZYOXHYSO-UHFFFAOYSA-N
XLogP1.40
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea (CID 22713103) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea is CCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea?
The InChIKey is YKPMGPZYOXHYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O6S/c1-4-25-10-7-5-6-8-11(10)26(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea has a molecular weight of 382.40 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenyl)sulfonylurea is sourced from PubChem (CID 22713103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).