N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine

C13H19N5 — CID 79751615

IUPACN-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine
SMILESCCNC(Cc1nccn1CC)c1ccncn1
InChIInChI=1S/C13H19N5/c1-3-15-12(11-5-6-14-10-17-11)9-13-16-7-8-18(13)4-2/h5-8,10,12,15H,3-4,9H2,1-2H3
InChIKeyTWJPCRWLOGCEPW-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.59
Rot. Bonds6

About N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine

N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine (PubChem CID 79751615) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine
PubChem CID79751615
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine
SMILESCCNC(Cc1nccn1CC)c1ccncn1
InChIInChI=1S/C13H19N5/c1-3-15-12(11-5-6-14-10-17-11)9-13-16-7-8-18(13)4-2/h5-8,10,12,15H,3-4,9H2,1-2H3
InChIKeyTWJPCRWLOGCEPW-UHFFFAOYSA-N
XLogP1.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(1-ethylimidazol-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105165931
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine
CID 79751577
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 79751877
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105009083
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009248
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009162
2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988550
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105165788
N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989998
1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 107539233
N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine
CID 63988342

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine?
The IUPAC name of N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine (CID 79751615) is N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine?
The canonical SMILES for N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine is CCNC(Cc1nccn1CC)c1ccncn1.
What is the InChIKey of N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine?
The InChIKey is TWJPCRWLOGCEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-15-12(11-5-6-14-10-17-11)9-13-16-7-8-18(13)4-2/h5-8,10,12,15H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine?
N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 79751615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).