N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine

C13H19N5 — CID 113329611

IUPACN-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1nccn1C)c1ccnc(C)n1
InChIInChI=1S/C13H19N5/c1-4-14-12(9-13-16-7-8-18(13)3)11-5-6-15-10(2)17-11/h5-8,12,14H,4,9H2,1-3H3
InChIKeyJOWGJKKJINFFAJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.41
Rot. Bonds5

About N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine

N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine (PubChem CID 113329611) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
PubChem CID113329611
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1nccn1C)c1ccnc(C)n1
InChIInChI=1S/C13H19N5/c1-4-14-12(9-13-16-7-8-18(13)3)11-5-6-15-10(2)17-11/h5-8,12,14H,4,9H2,1-3H3
InChIKeyJOWGJKKJINFFAJ-UHFFFAOYSA-N
XLogP1.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530910
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530947
N-ethyl-2-(1-methylimidazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105167045
N-ethyl-2-(1-methylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105167206
N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530719
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011269
2-ethoxy-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530851
1-(2,3-dichlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011522
N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine
CID 113329619
1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751985
1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011445
3-[2-(ethylamino)-2-(2-methylpyrimidin-4-yl)ethyl]pyridin-4-amine
CID 115530844

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine (CID 113329611) is N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine is CCNC(Cc1nccn1C)c1ccnc(C)n1.
What is the InChIKey of N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The InChIKey is JOWGJKKJINFFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-14-12(9-13-16-7-8-18(13)3)11-5-6-15-10(2)17-11/h5-8,12,14H,4,9H2,1-3H3.
What are the key properties of N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 113329611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).