N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine

C16H16N4 — CID 81231393

IUPACN-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine
SMILESCCNC(c1ccncn1)c1cccc2ncccc12
InChIInChI=1S/C16H16N4/c1-2-18-16(15-8-10-17-11-20-15)13-5-3-7-14-12(13)6-4-9-19-14/h3-11,16,18H,2H2,1H3
InChIKeyBKCJUKZDKHEWRE-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.72
Rot. Bonds4

About N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine

N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine (PubChem CID 81231393) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine
PubChem CID81231393
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine
SMILESCCNC(c1ccncn1)c1cccc2ncccc12
InChIInChI=1S/C16H16N4/c1-2-18-16(15-8-10-17-11-20-15)13-5-3-7-14-12(13)6-4-9-19-14/h3-11,16,18H,2H2,1H3
InChIKeyBKCJUKZDKHEWRE-UHFFFAOYSA-N
XLogP2.72
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[pyridin-2-yl(quinolin-5-yl)methyl]ethanamine
CID 81220016
N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105172000
N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine
CID 81232108
N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine
CID 106858308
N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105171948
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine
CID 105158296
N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105020108
N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine
CID 105108998
N-ethyl-1-quinolin-5-ylpentan-1-amine
CID 81231643
N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine
CID 105119009
N,3-diethyl-1-quinolin-5-ylpentan-1-amine
CID 105176769

Frequently Asked Questions

What is the IUPAC name of N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine?
The IUPAC name of N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine (CID 81231393) is N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine?
The canonical SMILES for N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine is CCNC(c1ccncn1)c1cccc2ncccc12.
What is the InChIKey of N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine?
The InChIKey is BKCJUKZDKHEWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-18-16(15-8-10-17-11-20-15)13-5-3-7-14-12(13)6-4-9-19-14/h3-11,16,18H,2H2,1H3.
What are the key properties of N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine?
N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine has a molecular weight of 264.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine is sourced from PubChem (CID 81231393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).