N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine

C17H18N4 — CID 102923542

IUPACN-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine
SMILESCCNC(Cc1ccnc2ccccc12)c1cncnc1
InChIInChI=1S/C17H18N4/c1-2-20-17(14-10-18-12-19-11-14)9-13-7-8-21-16-6-4-3-5-15(13)16/h3-8,10-12,17,20H,2,9H2,1H3
InChIKeyMWEHDMHAJMQSML-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.92
Rot. Bonds5

About N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine

N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine (PubChem CID 102923542) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine
PubChem CID102923542
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine
SMILESCCNC(Cc1ccnc2ccccc12)c1cncnc1
InChIInChI=1S/C17H18N4/c1-2-20-17(14-10-18-12-19-11-14)9-13-7-8-21-16-6-4-3-5-15(13)16/h3-8,10-12,17,20H,2,9H2,1H3
InChIKeyMWEHDMHAJMQSML-UHFFFAOYSA-N
XLogP2.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine
CID 105119009
N-ethyl-1-(5-methylfuran-2-yl)-2-quinolin-4-ylethanamine
CID 104997381
N-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine
CID 105159264
N-ethyl-3,4-dimethyl-1-quinolin-4-ylpentan-2-amine
CID 104997465
(1-pyridin-4-yl-2-quinolin-4-ylethyl)hydrazine
CID 105196495
4-(2-ethylbutyl)quinoline
CID 143495355
N-ethyl-1-(1-methylcyclopentyl)-2-quinolin-4-ylethanamine
CID 104997457
4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine
CID 105159357
[1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethyl]hydrazine
CID 105316387
N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine
CID 102923282
N-methyl-2-naphthalen-1-yl-1-pyrimidin-5-ylethanamine
CID 105118515
N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine
CID 62501356

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine?
The IUPAC name of N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine (CID 102923542) is N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine.
What is the SMILES notation for N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine?
The canonical SMILES for N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine is CCNC(Cc1ccnc2ccccc12)c1cncnc1.
What is the InChIKey of N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine?
The InChIKey is MWEHDMHAJMQSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-20-17(14-10-18-12-19-11-14)9-13-7-8-21-16-6-4-3-5-15(13)16/h3-8,10-12,17,20H,2,9H2,1H3.
What are the key properties of N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine?
N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine has a molecular weight of 278.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine is sourced from PubChem (CID 102923542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).