N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C29H32F3N7 — CID 135375719

About N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 135375719) has the molecular formula C29H32F3N7 and a molecular weight of 535.62 g/mol. Its IUPAC name is N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 135375719
• Molecular Formula: C29H32F3N7
• Molecular Weight: 535.62 g/mol
• Exact Mass: 535.27
• IUPAC Name: N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: CN(Cc1cn2c(N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)nccc2n1)C1CCCc2cccnc21
• InChI: InChI=1S/C29H32F3N7/c1-36(25-6-2-4-22-5-3-12-33-27(22)25)19-24-20-39-26(35-24)11-13-34-28(39)38-16-14-37(15-17-38)18-21-7-9-23(10-8-21)29(30,31)32/h3,5,7-13,20,25H,2,4,6,14-19H2,1H3
• InChIKey: BWAPOUCDRGPBJB-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 52.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.62
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 135375719) is N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN(Cc1cn2c(N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)nccc2n1)C1CCCc2cccnc21.

What is the InChIKey of N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is BWAPOUCDRGPBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N7/c1-36(25-6-2-4-22-5-3-12-33-27(22)25)19-24-20-39-26(35-24)11-13-34-28(39)38-16-14-37(15-17-38)18-21-7-9-23(10-8-21)29(30,31)32/h3,5,7-13,20,25H,2,4,6,14-19H2,1H3.

What are the key properties of N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 535.62 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 135375719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).