1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine

C16H16N4 — CID 115530639

IUPAC1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCNC(c1ccnc(C)n1)c1cccc2cnccc12
InChIInChI=1S/C16H16N4/c1-11-19-9-7-15(20-11)16(17-2)14-5-3-4-12-10-18-8-6-13(12)14/h3-10,16-17H,1-2H3
InChIKeyZFXZWGTXPHJYAU-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.64
Rot. Bonds3

About 1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine

1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 115530639) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
PubChem CID115530639
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCNC(c1ccnc(C)n1)c1cccc2cnccc12
InChIInChI=1S/C16H16N4/c1-11-19-9-7-15(20-11)16(17-2)14-5-3-4-12-10-18-8-6-13(12)14/h3-10,16-17H,1-2H3
InChIKeyZFXZWGTXPHJYAU-UHFFFAOYSA-N
XLogP2.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527932
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 104738640
1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115853114
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 106646006
N-[isoquinolin-4-yl-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 115530931
1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 103143559
1-(3,6-dimethylpyridazin-4-yl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 105143499
N-methyl-1-naphthalen-1-yl-1-pyrazin-2-ylmethanamine
CID 62791384
isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol
CID 103143046
1-(3-bromo-2-fluorophenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 107952904
1-isoquinolin-5-yl-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82901693
1-(4-chloro-3-methylphenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 115853154

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of 1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine (CID 115530639) is 1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for 1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for 1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine is CNC(c1ccnc(C)n1)c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is ZFXZWGTXPHJYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-19-9-7-15(20-11)16(17-2)14-5-3-4-12-10-18-8-6-13(12)14/h3-10,16-17H,1-2H3.
What are the key properties of 1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine?
1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 264.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 115530639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).