1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea

C11H11FN4O2S — CID 70928629

IUPAC1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea
SMILESCCOc1ncc(F)c(NC(=O)Nc2ccsc2)n1
InChIInChI=1S/C11H11FN4O2S/c1-2-18-11-13-5-8(12)9(16-11)15-10(17)14-7-3-4-19-6-7/h3-6H,2H2,1H3,(H2,13,14,15,16,17)
InChIKeyUGZGAQLXKUENAV-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea

1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea (PubChem CID 70928629) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea
PubChem CID70928629
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea
SMILESCCOc1ncc(F)c(NC(=O)Nc2ccsc2)n1
InChIInChI=1S/C11H11FN4O2S/c1-2-18-11-13-5-8(12)9(16-11)15-10(17)14-7-3-4-19-6-7/h3-6H,2H2,1H3,(H2,13,14,15,16,17)
InChIKeyUGZGAQLXKUENAV-UHFFFAOYSA-N
XLogP2.72
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea?
The IUPAC name of 1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea (CID 70928629) is 1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea.
What is the SMILES notation for 1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea?
The canonical SMILES for 1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea is CCOc1ncc(F)c(NC(=O)Nc2ccsc2)n1.
What is the InChIKey of 1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea?
The InChIKey is UGZGAQLXKUENAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c1-2-18-11-13-5-8(12)9(16-11)15-10(17)14-7-3-4-19-6-7/h3-6H,2H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea?
1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea has a molecular weight of 282.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea is sourced from PubChem (CID 70928629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).