2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine

C14H15Cl2N3 — CID 63988550

IUPAC2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1ccncn1
InChIInChI=1S/C14H15Cl2N3/c1-2-18-14(13-6-7-17-9-19-13)8-10-11(15)4-3-5-12(10)16/h3-7,9,14,18H,2,8H2,1H3
InChIKeyPRJJCBKJEISNEA-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.68
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine

2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine (PubChem CID 63988550) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
PubChem CID63988550
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1ccncn1
InChIInChI=1S/C14H15Cl2N3/c1-2-18-14(13-6-7-17-9-19-13)8-10-11(15)4-3-5-12(10)16/h3-7,9,14,18H,2,8H2,1H3
InChIKeyPRJJCBKJEISNEA-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-dichlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105220906
2-(2,6-dichlorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
CID 62602818
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 114855706
N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine
CID 63988342
2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200586
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 104793956
N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine
CID 63990208
N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79751615
2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988553
N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989998
N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63988984
N-[2-(4-chloro-2-fluorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 114855708

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine (CID 63988550) is 2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine is CCNC(Cc1c(Cl)cccc1Cl)c1ccncn1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine?
The InChIKey is PRJJCBKJEISNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-2-18-14(13-6-7-17-9-19-13)8-10-11(15)4-3-5-12(10)16/h3-7,9,14,18H,2,8H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine?
2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine has a molecular weight of 296.20 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 63988550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).