1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine

C21H25N5 — CID 131912352

IUPAC1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine
SMILESCN(Cc1cnc(N2CCCCC2)nc1)Cc1cccc2cnccc12
InChIInChI=1S/C21H25N5/c1-25(16-19-7-5-6-18-14-22-9-8-20(18)19)15-17-12-23-21(24-13-17)26-10-3-2-4-11-26/h5-9,12-14H,2-4,10-11,15-16H2,1H3
InChIKeyHJQLHWJYUSBKTR-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.65
Rot. Bonds5

About 1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine

1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine (PubChem CID 131912352) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine
PubChem CID131912352
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine
SMILESCN(Cc1cnc(N2CCCCC2)nc1)Cc1cccc2cnccc12
InChIInChI=1S/C21H25N5/c1-25(16-19-7-5-6-18-14-22-9-8-20(18)19)15-17-12-23-21(24-13-17)26-10-3-2-4-11-26/h5-9,12-14H,2-4,10-11,15-16H2,1H3
InChIKeyHJQLHWJYUSBKTR-UHFFFAOYSA-N
XLogP3.65
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine?
The IUPAC name of 1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine (CID 131912352) is 1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for 1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for 1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine is CN(Cc1cnc(N2CCCCC2)nc1)Cc1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine?
The InChIKey is HJQLHWJYUSBKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-25(16-19-7-5-6-18-14-22-9-8-20(18)19)15-17-12-23-21(24-13-17)26-10-3-2-4-11-26/h5-9,12-14H,2-4,10-11,15-16H2,1H3.
What are the key properties of 1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine?
1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine has a molecular weight of 347.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 131912352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).