2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine

C14H20BrN5 — CID 115530947

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1c(Br)c(C)nn1C)c1ccnc(C)n1
InChIInChI=1S/C14H20BrN5/c1-5-16-12(11-6-7-17-10(3)18-11)8-13-14(15)9(2)19-20(13)4/h6-7,12,16H,5,8H2,1-4H3
InChIKeyQURYKHXQFLZNLG-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.48
Rot. Bonds5

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine (PubChem CID 115530947) has the molecular formula C14H20BrN5 and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
PubChem CID115530947
Molecular FormulaC14H20BrN5
Molecular Weight338.25 g/mol
Exact Mass337.09
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1c(Br)c(C)nn1C)c1ccnc(C)n1
InChIInChI=1S/C14H20BrN5/c1-5-16-12(11-6-7-17-10(3)18-11)8-13-14(15)9(2)19-20(13)4/h6-7,12,16H,5,8H2,1-4H3
InChIKeyQURYKHXQFLZNLG-UHFFFAOYSA-N
XLogP2.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.48
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
N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329611
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 105000219
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 105000428
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105160979
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105160960
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 105000455
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160957
N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530719
2-ethoxy-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530851
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 105000414
N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine
CID 113329619

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine (CID 115530947) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine is CCNC(Cc1c(Br)c(C)nn1C)c1ccnc(C)n1.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine?
The InChIKey is QURYKHXQFLZNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5/c1-5-16-12(11-6-7-17-10(3)18-11)8-13-14(15)9(2)19-20(13)4/h6-7,12,16H,5,8H2,1-4H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine has a molecular weight of 338.25 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 115530947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).