N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine

C17H18N4 — CID 114755291

IUPACN-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1cc(C)c2ccccc2n1
InChIInChI=1S/C17H18N4/c1-3-20-17(13-9-18-11-19-10-13)16-8-12(2)14-6-4-5-7-15(14)21-16/h4-11,17,20H,3H2,1-2H3
InChIKeyZKKVYABLWDENJY-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.03
Rot. Bonds4

About N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine

N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine (PubChem CID 114755291) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine
PubChem CID114755291
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1cc(C)c2ccccc2n1
InChIInChI=1S/C17H18N4/c1-3-20-17(13-9-18-11-19-10-13)16-8-12(2)14-6-4-5-7-15(14)21-16/h4-11,17,20H,3H2,1-2H3
InChIKeyZKKVYABLWDENJY-UHFFFAOYSA-N
XLogP3.03
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118995
N-ethyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755257
N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine
CID 114755312
N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine
CID 107356998
[(5-methyl-3-pyridinyl)-(4-methylquinolin-2-yl)methyl]hydrazine
CID 105279660
N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine
CID 105119009
N-methyl-1-(4-methyl-3-pyridinyl)-1-(4-methylquinolin-2-yl)methanamine
CID 114755243
N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine
CID 107356920
N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098479
N-[phenyl(quinolin-2-yl)methyl]ethanamine
CID 63222857
N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491730
(1R)-1-(4-methylquinolin-2-yl)butan-1-ol
CID 104969389

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine (CID 114755291) is N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine is CCNC(c1cncnc1)c1cc(C)c2ccccc2n1.
What is the InChIKey of N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine?
The InChIKey is ZKKVYABLWDENJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-20-17(13-9-18-11-19-10-13)16-8-12(2)14-6-4-5-7-15(14)21-16/h4-11,17,20H,3H2,1-2H3.
What are the key properties of N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine?
N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine is sourced from PubChem (CID 114755291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).