N-[5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]pyrimidin-2-yl]acetamide

C20H22FN5O3 — CID 166532288

About N-[5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]pyrimidin-2-yl]acetamide

N-[5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]pyrimidin-2-yl]acetamide (PubChem CID 166532288) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]pyrimidin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]pyrimidin-2-yl]acetamide
• PubChem CID: 166532288
• Molecular Formula: C20H22FN5O3
• Molecular Weight: 399.43 g/mol
• Exact Mass: 399.17
• IUPAC Name: N-[5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]pyrimidin-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(NC(=O)NC(c2oc3ccc(F)cc3c2C)C(C)C)cn1
• InChI: InChI=1S/C20H22FN5O3/c1-10(2)17(18-11(3)15-7-13(21)5-6-16(15)29-18)26-20(28)25-14-8-22-19(23-9-14)24-12(4)27/h5-10,17H,1-4H3,(H2,25,26,28)(H,22,23,24,27)
• InChIKey: KOBDFUTZYHAJOO-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 109.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.43
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]pyrimidin-2-yl]acetamide (CID 166532288) is N-[5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]pyrimidin-2-yl]acetamide.

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

The canonical SMILES for N-[5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]pyrimidin-2-yl]acetamide is CC(=O)Nc1ncc(NC(=O)NC(c2oc3ccc(F)cc3c2C)C(C)C)cn1.

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

The InChIKey is KOBDFUTZYHAJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3/c1-10(2)17(18-11(3)15-7-13(21)5-6-16(15)29-18)26-20(28)25-14-8-22-19(23-9-14)24-12(4)27/h5-10,17H,1-4H3,(H2,25,26,28)(H,22,23,24,27).

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

N-[5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]pyrimidin-2-yl]acetamide has a molecular weight of 399.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 166532288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).