6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine

C17H28N4 — CID 80775506

IUPAC6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCCC3CCCCC32)nc(C)n1
InChIInChI=1S/C17H28N4/c1-3-10-18-16-12-17(20-13(2)19-16)21-11-6-8-14-7-4-5-9-15(14)21/h12,14-15H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyZNQJYLSCWHLUIK-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.77
Rot. Bonds4

About 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine

6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 80775506) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
PubChem CID80775506
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCCC3CCCCC32)nc(C)n1
InChIInChI=1S/C17H28N4/c1-3-10-18-16-12-17(20-13(2)19-16)21-11-6-8-14-7-4-5-9-15(14)21/h12,14-15H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyZNQJYLSCWHLUIK-UHFFFAOYSA-N
XLogP3.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine with MolForge

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Related Compounds

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 80843361
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-propylpyrazin-2-amine
CID 80842469
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine
CID 82752594
6-(3-methoxypiperidin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 102971485
N-[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870575
2-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80933803
6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80791344
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812642
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942504
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
6-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 103541915
6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 80819254

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine (CID 80775506) is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCCC3CCCCC32)nc(C)n1.
What is the InChIKey of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is ZNQJYLSCWHLUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-10-18-16-12-17(20-13(2)19-16)21-11-6-8-14-7-4-5-9-15(14)21/h12,14-15H,3-11H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine?
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80775506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).