N-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine

C17H18N4 — CID 115530915

IUPACN-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccccc2c1)c1ccnc(C)n1
InChIInChI=1S/C17H18N4/c1-3-18-17(16-8-9-19-12(2)21-16)14-10-13-6-4-5-7-15(13)20-11-14/h4-11,17-18H,3H2,1-2H3
InChIKeyRZZQJTUKACRSSY-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.03
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine

N-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine (PubChem CID 115530915) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine
PubChem CID115530915
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccccc2c1)c1ccnc(C)n1
InChIInChI=1S/C17H18N4/c1-3-18-17(16-8-9-19-12(2)21-16)14-10-13-6-4-5-7-15(13)20-11-14/h4-11,17-18H,3H2,1-2H3
InChIKeyRZZQJTUKACRSSY-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

Analyze N-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylpyrimidin-4-yl)-quinolin-3-ylmethanamine
CID 115530428
N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine
CID 60923858
N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 113329606
N-[isoquinolin-4-yl-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 115530931
N-methyl-1-(2-methylpyrimidin-4-yl)-1-quinolin-6-ylmethanamine
CID 115530668
N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115530971
N-ethyl-2-pyridin-4-yl-1-quinolin-3-ylethanamine
CID 62551242
N-ethyl-3-methyl-1-quinolin-3-ylpentan-1-amine
CID 115798075
N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine
CID 65127903
N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105097727
2-methyl-N-propyl-1-quinolin-3-ylpropan-1-amine
CID 54861221
3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine
CID 105097975

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine (CID 115530915) is N-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine is CCNC(c1cnc2ccccc2c1)c1ccnc(C)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine?
The InChIKey is RZZQJTUKACRSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-18-17(16-8-9-19-12(2)21-16)14-10-13-6-4-5-7-15(13)20-11-14/h4-11,17-18H,3H2,1-2H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine?
N-[(2-methylpyrimidin-4-yl)-quinolin-3-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-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine is sourced from PubChem (CID 115530915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).