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

C12H11BrFN3 — CID 62600894

IUPAC2-(4-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethanamine
SMILESNC(Cc1ccc(Br)cc1F)c1ncccn1
InChIInChI=1S/C12H11BrFN3/c13-9-3-2-8(10(14)7-9)6-11(15)12-16-4-1-5-17-12/h1-5,7,11H,6,15H2
InChIKeyPKCKZCXVTJRCEU-UHFFFAOYSA-N
MW296.14 g/mol
LogP2.62
Rot. Bonds3

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

2-(4-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethanamine (PubChem CID 62600894) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethanamine
PubChem CID62600894
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethanamine
SMILESNC(Cc1ccc(Br)cc1F)c1ncccn1
InChIInChI=1S/C12H11BrFN3/c13-9-3-2-8(10(14)7-9)6-11(15)12-16-4-1-5-17-12/h1-5,7,11H,6,15H2
InChIKeyPKCKZCXVTJRCEU-UHFFFAOYSA-N
XLogP2.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 52.62
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)-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethanamine (CID 62600894) is 2-(4-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethanamine is NC(Cc1ccc(Br)cc1F)c1ncccn1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethanamine?
The InChIKey is PKCKZCXVTJRCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c13-9-3-2-8(10(14)7-9)6-11(15)12-16-4-1-5-17-12/h1-5,7,11H,6,15H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethanamine?
2-(4-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethanamine has a molecular weight of 296.14 g/mol, XLogP of 2.62, 3 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)-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 62600894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).