N-[5-[[4-[2-(dimethylamino)propyl]-2-(trifluoromethyl)anilino]methyl]-2-methylphenyl]-4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-amine

C33H34F3N7O — CID 166972966

About N-[5-[[4-[2-(dimethylamino)propyl]-2-(trifluoromethyl)anilino]methyl]-2-methylphenyl]-4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-amine

N-[5-[[4-[2-(dimethylamino)propyl]-2-(trifluoromethyl)anilino]methyl]-2-methylphenyl]-4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-amine (PubChem CID 166972966) has the molecular formula C33H34F3N7O and a molecular weight of 601.68 g/mol. Its IUPAC name is N-[5-[[4-[2-(dimethylamino)propyl]-2-(trifluoromethyl)anilino]methyl]-2-methylphenyl]-4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[5-[[4-[2-(dimethylamino)propyl]-2-(trifluoromethyl)anilino]methyl]-2-methylphenyl]-4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-amine
• PubChem CID: 166972966
• Molecular Formula: C33H34F3N7O
• Molecular Weight: 601.68 g/mol
• Exact Mass: 601.28
• IUPAC Name: N-[5-[[4-[2-(dimethylamino)propyl]-2-(trifluoromethyl)anilino]methyl]-2-methylphenyl]-4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-amine
• SMILES: Cc1ccc(CNc2ccc(CC(C)N(C)C)cc2C(F)(F)F)cc1Nc1nccc(-c2cncc(-c3oncc3C)c2)n1
• InChI: InChI=1S/C33H34F3N7O/c1-20-6-7-24(17-39-29-9-8-23(12-22(3)43(4)5)13-27(29)33(34,35)36)14-30(20)42-32-38-11-10-28(41-32)25-15-26(19-37-18-25)31-21(2)16-40-44-31/h6-11,13-16,18-19,22,39H,12,17H2,1-5H3,(H,38,41,42)
• InChIKey: CYGVDNIYQDOVFV-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 92.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.68
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[2-(dimethylamino)propyl]-2-(trifluoromethyl)anilino]methyl]-2-methylphenyl]-4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-amine?

The IUPAC name of N-[5-[[4-[2-(dimethylamino)propyl]-2-(trifluoromethyl)anilino]methyl]-2-methylphenyl]-4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-amine (CID 166972966) is N-[5-[[4-[2-(dimethylamino)propyl]-2-(trifluoromethyl)anilino]methyl]-2-methylphenyl]-4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for N-[5-[[4-[2-(dimethylamino)propyl]-2-(trifluoromethyl)anilino]methyl]-2-methylphenyl]-4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for N-[5-[[4-[2-(dimethylamino)propyl]-2-(trifluoromethyl)anilino]methyl]-2-methylphenyl]-4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-amine is Cc1ccc(CNc2ccc(CC(C)N(C)C)cc2C(F)(F)F)cc1Nc1nccc(-c2cncc(-c3oncc3C)c2)n1.

What is the InChIKey of N-[5-[[4-[2-(dimethylamino)propyl]-2-(trifluoromethyl)anilino]methyl]-2-methylphenyl]-4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-amine?

The InChIKey is CYGVDNIYQDOVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N7O/c1-20-6-7-24(17-39-29-9-8-23(12-22(3)43(4)5)13-27(29)33(34,35)36)14-30(20)42-32-38-11-10-28(41-32)25-15-26(19-37-18-25)31-21(2)16-40-44-31/h6-11,13-16,18-19,22,39H,12,17H2,1-5H3,(H,38,41,42).

What are the key properties of N-[5-[[4-[2-(dimethylamino)propyl]-2-(trifluoromethyl)anilino]methyl]-2-methylphenyl]-4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-amine?

N-[5-[[4-[2-(dimethylamino)propyl]-2-(trifluoromethyl)anilino]methyl]-2-methylphenyl]-4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 601.68 g/mol, XLogP of 7.68, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[4-[2-(dimethylamino)propyl]-2-(trifluoromethyl)anilino]methyl]-2-methylphenyl]-4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 166972966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).