1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-[2-(methylamino)pyrimidin-5-yl]urea

C19H22FN5O2 — CID 166532792

About 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-[2-(methylamino)pyrimidin-5-yl]urea

1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-[2-(methylamino)pyrimidin-5-yl]urea (PubChem CID 166532792) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-[2-(methylamino)pyrimidin-5-yl]urea.

Molecular Properties

• Compound Name: 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-[2-(methylamino)pyrimidin-5-yl]urea
• PubChem CID: 166532792
• Molecular Formula: C19H22FN5O2
• Molecular Weight: 371.42 g/mol
• Exact Mass: 371.18
• IUPAC Name: 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-[2-(methylamino)pyrimidin-5-yl]urea
• SMILES: CNc1ncc(NC(=O)NC(c2oc3ccc(F)cc3c2C)C(C)C)cn1
• InChI: InChI=1S/C19H22FN5O2/c1-10(2)16(17-11(3)14-7-12(20)5-6-15(14)27-17)25-19(26)24-13-8-22-18(21-4)23-9-13/h5-10,16H,1-4H3,(H,21,22,23)(H2,24,25,26)
• InChIKey: QOMIAKOASYBRDM-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 92.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.42
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-[2-(methylamino)pyrimidin-5-yl]urea?

The IUPAC name of 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-[2-(methylamino)pyrimidin-5-yl]urea (CID 166532792) is 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-[2-(methylamino)pyrimidin-5-yl]urea.

What is the SMILES notation for 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-[2-(methylamino)pyrimidin-5-yl]urea?

The canonical SMILES for 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-[2-(methylamino)pyrimidin-5-yl]urea is CNc1ncc(NC(=O)NC(c2oc3ccc(F)cc3c2C)C(C)C)cn1.

What is the InChIKey of 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-[2-(methylamino)pyrimidin-5-yl]urea?

The InChIKey is QOMIAKOASYBRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-10(2)16(17-11(3)14-7-12(20)5-6-15(14)27-17)25-19(26)24-13-8-22-18(21-4)23-9-13/h5-10,16H,1-4H3,(H,21,22,23)(H2,24,25,26).

What are the key properties of 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-[2-(methylamino)pyrimidin-5-yl]urea?

1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-[2-(methylamino)pyrimidin-5-yl]urea has a molecular weight of 371.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-[2-(methylamino)pyrimidin-5-yl]urea is sourced from PubChem (CID 166532792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).