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

C16H16N4 — CID 105119009

IUPACN-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine
SMILESCCNC(c1cncnc1)c1ccnc2ccccc12
InChIInChI=1S/C16H16N4/c1-2-19-16(12-9-17-11-18-10-12)14-7-8-20-15-6-4-3-5-13(14)15/h3-11,16,19H,2H2,1H3
InChIKeyNJGYIEDARRQOBS-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.72
Rot. Bonds4

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

N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine (PubChem CID 105119009) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine
PubChem CID105119009
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine
SMILESCCNC(c1cncnc1)c1ccnc2ccccc12
InChIInChI=1S/C16H16N4/c1-2-19-16(12-9-17-11-18-10-12)14-7-8-20-15-6-4-3-5-13(14)15/h3-11,16,19H,2H2,1H3
InChIKeyNJGYIEDARRQOBS-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-[(6-methyl-3-pyridinyl)-quinolin-4-ylmethyl]ethanamine
CID 105146311
N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118995
N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine
CID 105104643
N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine
CID 102923542
N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine
CID 81232108
N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 114755291
N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 114104199
N-[cyclopropyl(quinolin-4-yl)methyl]ethanamine
CID 105157242
N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098479
N-[pyridin-2-yl(quinolin-5-yl)methyl]ethanamine
CID 81220016
N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine
CID 81231393
N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine
CID 105108998

Frequently Asked Questions

What is the IUPAC name of N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine?
The IUPAC name of N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine (CID 105119009) is N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine is CCNC(c1cncnc1)c1ccnc2ccccc12.
What is the InChIKey of N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine?
The InChIKey is NJGYIEDARRQOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-19-16(12-9-17-11-18-10-12)14-7-8-20-15-6-4-3-5-13(14)15/h3-11,16,19H,2H2,1H3.
What are the key properties of N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine?
N-[pyrimidin-5-yl(quinolin-4-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-5-yl(quinolin-4-yl)methyl]ethanamine is sourced from PubChem (CID 105119009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).