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

C17H22N4 — CID 80749716

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCc3ccccc32)c1C
InChIInChI=1S/C17H22N4/c1-3-10-18-16-13(2)17(20-12-19-16)21-11-6-8-14-7-4-5-9-15(14)21/h4-5,7,9,12H,3,6,8,10-11H2,1-2H3,(H,18,19,20)
InChIKeyGQCWYILZSFEGCC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.69
Rot. Bonds4

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

6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 80749716) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID80749716
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCc3ccccc32)c1C
InChIInChI=1S/C17H22N4/c1-3-10-18-16-13(2)17(20-12-19-16)21-11-6-8-14-7-4-5-9-15(14)21/h4-5,7,9,12H,3,6,8,10-11H2,1-2H3,(H,18,19,20)
InChIKeyGQCWYILZSFEGCC-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80751574
6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 103504481
4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
CID 19147403
1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 63735943
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
CID 19147319
6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine
CID 80767440
6-(2-ethylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80797292
6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80767441
5-methyl-6-(2-methylpiperidin-1-yl)-N-propylpyrimidin-4-amine
CID 80766852
4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine
CID 79910683
6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80792872
6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 22543176

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine (CID 80749716) is 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(N2CCCc3ccccc32)c1C.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is GQCWYILZSFEGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-10-18-16-13(2)17(20-12-19-16)21-11-6-8-14-7-4-5-9-15(14)21/h4-5,7,9,12H,3,6,8,10-11H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.69, 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-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80749716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).