3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride

C15H23ClF3N5O — CID 171493025

About 3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride

3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 171493025) has the molecular formula C15H23ClF3N5O and a molecular weight of 381.83 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride
• PubChem CID: 171493025
• Molecular Formula: C15H23ClF3N5O
• Molecular Weight: 381.83 g/mol
• Exact Mass: 381.15
• IUPAC Name: 3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride
• SMILES: CC(C)NCCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1.Cl
• InChI: InChI=1S/C15H22F3N5O.ClH/c1-11(2)19-4-3-13(24)22-5-7-23(8-6-22)14-20-9-12(10-21-14)15(16,17)18;/h9-11,19H,3-8H2,1-2H3;1H
• InChIKey: HPKHLBRMDAWKDV-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.83
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride?

The IUPAC name of 3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride (CID 171493025) is 3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride.

What is the SMILES notation for 3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride?

The canonical SMILES for 3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride is CC(C)NCCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1.Cl.

What is the InChIKey of 3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride?

The InChIKey is HPKHLBRMDAWKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O.ClH/c1-11(2)19-4-3-13(24)22-5-7-23(8-6-22)14-20-9-12(10-21-14)15(16,17)18;/h9-11,19H,3-8H2,1-2H3;1H.

What are the key properties of 3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride?

3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 381.83 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 171493025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).