1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea

C18H19F2N5O2 — CID 166532141

About 1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea

1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea (PubChem CID 166532141) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea.

Molecular Properties

• Compound Name: 1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea
• PubChem CID: 166532141
• Molecular Formula: C18H19F2N5O2
• Molecular Weight: 375.38 g/mol
• Exact Mass: 375.15
• IUPAC Name: 1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea
• SMILES: Cc1c([C@@H](NC(=O)Nc2cnc(N)nc2)C(C)C)oc2c(F)cc(F)cc12
• InChI: InChI=1S/C18H19F2N5O2/c1-8(2)14(25-18(26)24-11-6-22-17(21)23-7-11)15-9(3)12-4-10(19)5-13(20)16(12)27-15/h4-8,14H,1-3H3,(H2,21,22,23)(H2,24,25,26)/t14-/m0/s1
• InChIKey: HBVWBIGJAFBYIY-AWEZNQCLSA-N
• XLogP: 3.91
• TPSA: 106.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.38
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea?

The IUPAC name of 1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea (CID 166532141) is 1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea.

What is the SMILES notation for 1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea?

The canonical SMILES for 1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea is Cc1c([C@@H](NC(=O)Nc2cnc(N)nc2)C(C)C)oc2c(F)cc(F)cc12.

What is the InChIKey of 1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea?

The InChIKey is HBVWBIGJAFBYIY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c1-8(2)14(25-18(26)24-11-6-22-17(21)23-7-11)15-9(3)12-4-10(19)5-13(20)16(12)27-15/h4-8,14H,1-3H3,(H2,21,22,23)(H2,24,25,26)/t14-/m0/s1.

What are the key properties of 1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea?

1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea has a molecular weight of 375.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea is sourced from PubChem (CID 166532141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).