N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C24H24N6O4 — CID 122297365

About N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 122297365) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• PubChem CID: 122297365
• Molecular Formula: C24H24N6O4
• Molecular Weight: 460.49 g/mol
• Exact Mass: 460.19
• IUPAC Name: N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• SMILES: Cc1nc(Nc2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2)cc(N2CCOCC2)n1
• InChI: InChI=1S/C24H24N6O4/c1-16-25-21(14-22(26-16)29-10-12-33-13-11-29)27-17-6-8-18(9-7-17)28-23(31)15-30-19-4-2-3-5-20(19)34-24(30)32/h2-9,14H,10-13,15H2,1H3,(H,28,31)(H,25,26,27)
• InChIKey: NSDFPRJWJFKMNW-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 114.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The IUPAC name of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 122297365) is N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

What is the SMILES notation for N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The canonical SMILES for N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is Cc1nc(Nc2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2)cc(N2CCOCC2)n1.

What is the InChIKey of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The InChIKey is NSDFPRJWJFKMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-16-25-21(14-22(26-16)29-10-12-33-13-11-29)27-17-6-8-18(9-7-17)28-23(31)15-30-19-4-2-3-5-20(19)34-24(30)32/h2-9,14H,10-13,15H2,1H3,(H,28,31)(H,25,26,27).

What are the key properties of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 460.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 122297365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).