1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea

C22H20FN5OS — CID 69056231

About 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea

1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea (PubChem CID 69056231) has the molecular formula C22H20FN5OS and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea.

Molecular Properties

• Compound Name: 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea
• PubChem CID: 69056231
• Molecular Formula: C22H20FN5OS
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.14
• IUPAC Name: 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea
• SMILES: CCc1cccc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2F)c1
• InChI: InChI=1S/C22H20FN5OS/c1-3-13-5-4-6-15(9-13)27-22(29)28-17-8-7-14(10-16(17)23)18-12(2)30-21-19(18)20(24)25-11-26-21/h4-11H,3H2,1-2H3,(H2,24,25,26)(H2,27,28,29)
• InChIKey: FVOLJMFDYYDAAF-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 92.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea?

The IUPAC name of 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea (CID 69056231) is 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea.

What is the SMILES notation for 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea?

The canonical SMILES for 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea is CCc1cccc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2F)c1.

What is the InChIKey of 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea?

The InChIKey is FVOLJMFDYYDAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5OS/c1-3-13-5-4-6-15(9-13)27-22(29)28-17-8-7-14(10-16(17)23)18-12(2)30-21-19(18)20(24)25-11-26-21/h4-11H,3H2,1-2H3,(H2,24,25,26)(H2,27,28,29).

What are the key properties of 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea?

1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea has a molecular weight of 421.50 g/mol, XLogP of 5.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea is sourced from PubChem (CID 69056231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).