(3-fluoro-2-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone

C24H24F4N6O — CID 144902969

About (3-fluoro-2-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone

(3-fluoro-2-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 144902969) has the molecular formula C24H24F4N6O and a molecular weight of 488.49 g/mol. Its IUPAC name is (3-fluoro-2-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-fluoro-2-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
• PubChem CID: 144902969
• Molecular Formula: C24H24F4N6O
• Molecular Weight: 488.49 g/mol
• Exact Mass: 488.19
• IUPAC Name: (3-fluoro-2-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
• SMILES: Cc1c(F)ccc(-c2ncccn2)c1C(=O)N1CCC[C@@H](C)C1CNc1ncc(C(F)(F)F)cn1
• InChI: InChI=1S/C24H24F4N6O/c1-14-5-3-10-34(19(14)13-33-23-31-11-16(12-32-23)24(26,27)28)22(35)20-15(2)18(25)7-6-17(20)21-29-8-4-9-30-21/h4,6-9,11-12,14,19H,3,5,10,13H2,1-2H3,(H,31,32,33)/t14-,19?/m1/s1
• InChIKey: DWTWFIWMYRBCHI-MJTSIZKDSA-N
• XLogP: 4.75
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.49
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone?

The IUPAC name of (3-fluoro-2-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone (CID 144902969) is (3-fluoro-2-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone.

What is the SMILES notation for (3-fluoro-2-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone?

The canonical SMILES for (3-fluoro-2-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone is Cc1c(F)ccc(-c2ncccn2)c1C(=O)N1CCC[C@@H](C)C1CNc1ncc(C(F)(F)F)cn1.

What is the InChIKey of (3-fluoro-2-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone?

The InChIKey is DWTWFIWMYRBCHI-MJTSIZKDSA-N. The full InChI is InChI=1S/C24H24F4N6O/c1-14-5-3-10-34(19(14)13-33-23-31-11-16(12-32-23)24(26,27)28)22(35)20-15(2)18(25)7-6-17(20)21-29-8-4-9-30-21/h4,6-9,11-12,14,19H,3,5,10,13H2,1-2H3,(H,31,32,33)/t14-,19?/m1/s1.

What are the key properties of (3-fluoro-2-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone?

(3-fluoro-2-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 488.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluoro-2-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 144902969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).