6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine

C17H22N4 — CID 80751574

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCc3ccccc3C2)c1C
InChIInChI=1S/C17H22N4/c1-3-9-18-16-13(2)17(20-12-19-16)21-10-8-14-6-4-5-7-15(14)11-21/h4-7,12H,3,8-11H2,1-2H3,(H,18,19,20)
InChIKeyQDVJMPVCWMXLRX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.17
Rot. Bonds4

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine

6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 80751574) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID80751574
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCc3ccccc3C2)c1C
InChIInChI=1S/C17H22N4/c1-3-9-18-16-13(2)17(20-12-19-16)21-10-8-14-6-4-5-7-15(14)11-21/h4-7,12H,3,8-11H2,1-2H3,(H,18,19,20)
InChIKeyQDVJMPVCWMXLRX-UHFFFAOYSA-N
XLogP3.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80767214
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80928300
6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80749716
N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80830675
6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 103504481
1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80823831
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-methylpyrimidine-4,5-diamine
CID 19135043
6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80835703
6-(2-ethylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80797292
5-methyl-6-(2-methylpiperidin-1-yl)-N-propylpyrimidin-4-amine
CID 80766852
5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80810445
6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80792872

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine (CID 80751574) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(N2CCc3ccccc3C2)c1C.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is QDVJMPVCWMXLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-9-18-16-13(2)17(20-12-19-16)21-10-8-14-6-4-5-7-15(14)11-21/h4-7,12H,3,8-11H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80751574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).