(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]piperidin-1-yl]methanone

C28H36F3N5O — CID 11605997

About (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]piperidin-1-yl]methanone

(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 11605997) has the molecular formula C28H36F3N5O and a molecular weight of 515.62 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 11605997
• Molecular Formula: C28H36F3N5O
• Molecular Weight: 515.62 g/mol
• Exact Mass: 515.29
• IUPAC Name: (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]piperidin-1-yl]methanone
• SMILES: Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(C(F)(F)F)ccc43)[C@@H](C)C2)CC1
• InChI: InChI=1S/C28H36F3N5O/c1-18-16-35(13-14-36(18)24-8-5-21-15-22(28(29,30)31)6-7-23(21)24)27(4)9-11-34(12-10-27)26(37)25-19(2)32-17-33-20(25)3/h6-7,15,17-18,24H,5,8-14,16H2,1-4H3/t18-,24?/m0/s1
• InChIKey: SARHRNVKZXZFIW-VEXWJQHLSA-N
• XLogP: 4.80
• TPSA: 52.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.62
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]piperidin-1-yl]methanone?

The IUPAC name of (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]piperidin-1-yl]methanone (CID 11605997) is (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]piperidin-1-yl]methanone?

The canonical SMILES for (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]piperidin-1-yl]methanone is Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(C(F)(F)F)ccc43)[C@@H](C)C2)CC1.

What is the InChIKey of (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]piperidin-1-yl]methanone?

The InChIKey is SARHRNVKZXZFIW-VEXWJQHLSA-N. The full InChI is InChI=1S/C28H36F3N5O/c1-18-16-35(13-14-36(18)24-8-5-21-15-22(28(29,30)31)6-7-23(21)24)27(4)9-11-34(12-10-27)26(37)25-19(2)32-17-33-20(25)3/h6-7,15,17-18,24H,5,8-14,16H2,1-4H3/t18-,24?/m0/s1.

What are the key properties of (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]piperidin-1-yl]methanone?

(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 515.62 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 11605997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).