2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine

C14H15BrFN3 — CID 62599858

IUPAC2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine
SMILESCCNC(Cc1ccc(Br)cc1F)c1ncccn1
InChIInChI=1S/C14H15BrFN3/c1-2-17-13(14-18-6-3-7-19-14)8-10-4-5-11(15)9-12(10)16/h3-7,9,13,17H,2,8H2,1H3
InChIKeySMUUREJJCIGJFF-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.27
Rot. Bonds5

About 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine

2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine (PubChem CID 62599858) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine
PubChem CID62599858
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine
SMILESCCNC(Cc1ccc(Br)cc1F)c1ncccn1
InChIInChI=1S/C14H15BrFN3/c1-2-17-13(14-18-6-3-7-19-14)8-10-4-5-11(15)9-12(10)16/h3-7,9,13,17H,2,8H2,1H3
InChIKeySMUUREJJCIGJFF-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine (CID 62599858) is 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine is CCNC(Cc1ccc(Br)cc1F)c1ncccn1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine?
The InChIKey is SMUUREJJCIGJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-2-17-13(14-18-6-3-7-19-14)8-10-4-5-11(15)9-12(10)16/h3-7,9,13,17H,2,8H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine?
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine has a molecular weight of 324.20 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 62599858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).