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

C17H18N4 — CID 105118995

IUPACN-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1cc(C)nc2ccccc12
InChIInChI=1S/C17H18N4/c1-3-20-17(13-9-18-11-19-10-13)15-8-12(2)21-16-7-5-4-6-14(15)16/h4-11,17,20H,3H2,1-2H3
InChIKeyYSNZTPAQQTULLU-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.03
Rot. Bonds4

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

N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine (PubChem CID 105118995) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine
PubChem CID105118995
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1cc(C)nc2ccccc12
InChIInChI=1S/C17H18N4/c1-3-20-17(13-9-18-11-19-10-13)15-8-12(2)21-16-7-5-4-6-14(15)16/h4-11,17,20H,3H2,1-2H3
InChIKeyYSNZTPAQQTULLU-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)-pyridin-3-ylmethyl]ethanamine
CID 105098479
N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine
CID 105119009
N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 114755291
N-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105150060
(5-methyl-3-pyridinyl)-(2-methylquinolin-4-yl)methanamine
CID 105173927
2-cyclopropyl-N-ethyl-1-(2-methylquinolin-4-yl)ethanamine
CID 105152893
N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine
CID 105137590
N-[(6-methyl-3-pyridinyl)-quinolin-4-ylmethyl]ethanamine
CID 105146311
N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923988
1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698
1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 105076264
N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine
CID 63199652

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine (CID 105118995) is N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine is CCNC(c1cncnc1)c1cc(C)nc2ccccc12.
What is the InChIKey of N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine?
The InChIKey is YSNZTPAQQTULLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-20-17(13-9-18-11-19-10-13)15-8-12(2)21-16-7-5-4-6-14(15)16/h4-11,17,20H,3H2,1-2H3.
What are the key properties of N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine?
N-[(2-methylquinolin-4-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-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine is sourced from PubChem (CID 105118995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).