N-methyl-N-[[5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C27H32N8 — CID 129250303

About N-methyl-N-[[5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-methyl-N-[[5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 129250303) has the molecular formula C27H32N8 and a molecular weight of 468.61 g/mol. Its IUPAC name is N-methyl-N-[[5-[4-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 129250303
• Molecular Formula: C27H32N8
• Molecular Weight: 468.61 g/mol
• Exact Mass: 468.27
• IUPAC Name: N-methyl-N-[[5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: CN(Cc1cn2c(N3CCN(Cc4cccnc4)CC3)nccc2n1)C1CCCc2cccnc21
• InChI: InChI=1S/C27H32N8/c1-32(24-8-2-6-22-7-4-11-29-26(22)24)19-23-20-35-25(31-23)9-12-30-27(35)34-15-13-33(14-16-34)18-21-5-3-10-28-17-21/h3-5,7,9-12,17,20,24H,2,6,8,13-16,18-19H2,1H3
• InChIKey: BISMTIZYXADOPJ-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 65.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.61
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[4-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 129250303) is N-methyl-N-[[5-[4-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN(Cc1cn2c(N3CCN(Cc4cccnc4)CC3)nccc2n1)C1CCCc2cccnc21.

What is the InChIKey of N-methyl-N-[[5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is BISMTIZYXADOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8/c1-32(24-8-2-6-22-7-4-11-29-26(22)24)19-23-20-35-25(31-23)9-12-30-27(35)34-15-13-33(14-16-34)18-21-5-3-10-28-17-21/h3-5,7,9-12,17,20,24H,2,6,8,13-16,18-19H2,1H3.

What are the key properties of N-methyl-N-[[5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

N-methyl-N-[[5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 468.61 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[[5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 129250303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).