1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine

C16H20N4 — CID 102661948

IUPAC1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCC(N)c1ccc2c(c1)CCCN2Cc1ncccn1
InChIInChI=1S/C16H20N4/c1-12(17)13-5-6-15-14(10-13)4-2-9-20(15)11-16-18-7-3-8-19-16/h3,5-8,10,12H,2,4,9,11,17H2,1H3
InChIKeyXVUZPVGOYZTRQQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.45
Rot. Bonds3

About 1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine

1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine (PubChem CID 102661948) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
PubChem CID102661948
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCC(N)c1ccc2c(c1)CCCN2Cc1ncccn1
InChIInChI=1S/C16H20N4/c1-12(17)13-5-6-15-14(10-13)4-2-9-20(15)11-16-18-7-3-8-19-16/h3,5-8,10,12H,2,4,9,11,17H2,1H3
InChIKeyXVUZPVGOYZTRQQ-UHFFFAOYSA-N
XLogP2.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 55108489
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102880183
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661900
1-[1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661895
1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 107040763
3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine
CID 102661874
1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661613
1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 106449096
1-[1-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661928
1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661459

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The IUPAC name of 1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine (CID 102661948) is 1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine.
What is the SMILES notation for 1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The canonical SMILES for 1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine is CC(N)c1ccc2c(c1)CCCN2Cc1ncccn1.
What is the InChIKey of 1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The InChIKey is XVUZPVGOYZTRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12(17)13-5-6-15-14(10-13)4-2-9-20(15)11-16-18-7-3-8-19-16/h3,5-8,10,12H,2,4,9,11,17H2,1H3.
What are the key properties of 1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine has a molecular weight of 268.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine is sourced from PubChem (CID 102661948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).