4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride

C24H26ClF3N4 — CID 18315783

About 4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride

4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride (PubChem CID 18315783) has the molecular formula C24H26ClF3N4 and a molecular weight of 462.95 g/mol. Its IUPAC name is 4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride
• PubChem CID: 18315783
• Molecular Formula: C24H26ClF3N4
• Molecular Weight: 462.95 g/mol
• Exact Mass: 462.18
• IUPAC Name: 4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride
• SMILES: Cc1nc(NCc2cccc(C(F)(F)F)c2)nc(N2CCc3ccccc3C2C)c1C.Cl
• InChI: InChI=1S/C24H25F3N4.ClH/c1-15-16(2)29-23(28-14-18-7-6-9-20(13-18)24(25,26)27)30-22(15)31-12-11-19-8-4-5-10-21(19)17(31)3;/h4-10,13,17H,11-12,14H2,1-3H3,(H,28,29,30);1H
• InChIKey: IZLMEJVWIJVFLU-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 41.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.95
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride?

The IUPAC name of 4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride (CID 18315783) is 4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride.

What is the SMILES notation for 4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride?

The canonical SMILES for 4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride is Cc1nc(NCc2cccc(C(F)(F)F)c2)nc(N2CCc3ccccc3C2C)c1C.Cl.

What is the InChIKey of 4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride?

The InChIKey is IZLMEJVWIJVFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4.ClH/c1-15-16(2)29-23(28-14-18-7-6-9-20(13-18)24(25,26)27)30-22(15)31-12-11-19-8-4-5-10-21(19)17(31)3;/h4-10,13,17H,11-12,14H2,1-3H3,(H,28,29,30);1H.

What are the key properties of 4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride?

4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride has a molecular weight of 462.95 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 18315783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).