2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide

C27H25ClN4O2 — CID 108759708

About 2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide (PubChem CID 108759708) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide
• PubChem CID: 108759708
• Molecular Formula: C27H25ClN4O2
• Molecular Weight: 472.98 g/mol
• Exact Mass: 472.17
• IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide
• SMILES: Cc1nc(Nc2cccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2)cc(-c2ccccc2)n1
• InChI: InChI=1S/C27H25ClN4O2/c1-18-29-24(19-8-5-4-6-9-19)17-25(30-18)31-21-10-7-11-22(16-21)32-26(33)27(2,3)34-23-14-12-20(28)13-15-23/h4-17H,1-3H3,(H,32,33)(H,29,30,31)
• InChIKey: MLCRHGYYPOCSTP-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.98
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide?

The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide (CID 108759708) is 2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide.

What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide?

The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide is Cc1nc(Nc2cccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2)cc(-c2ccccc2)n1.

What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide?

The InChIKey is MLCRHGYYPOCSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c1-18-29-24(19-8-5-4-6-9-19)17-25(30-18)31-21-10-7-11-22(16-21)32-26(33)27(2,3)34-23-14-12-20(28)13-15-23/h4-17H,1-3H3,(H,32,33)(H,29,30,31).

What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide?

2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide has a molecular weight of 472.98 g/mol, XLogP of 6.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide is sourced from PubChem (CID 108759708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).