4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine

C12H11BrFN3O — CID 114677310

IUPAC4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(Oc2cc(Br)ccc2F)n1
InChIInChI=1S/C12H11BrFN3O/c1-2-15-12-16-6-5-11(17-12)18-10-7-8(13)3-4-9(10)14/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyROBYESYGKFABHI-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.60
Rot. Bonds4

About 4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine

4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine (PubChem CID 114677310) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine
PubChem CID114677310
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(Oc2cc(Br)ccc2F)n1
InChIInChI=1S/C12H11BrFN3O/c1-2-15-12-16-6-5-11(17-12)18-10-7-8(13)3-4-9(10)14/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyROBYESYGKFABHI-UHFFFAOYSA-N
XLogP3.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 114677390
4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine
CID 80880330
6-(5-bromo-2-fluorophenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 114677283
6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114788114
4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine
CID 80864811
4-(2-bromo-4-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80881715
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide
CID 141320406
6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine
CID 80881020
4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80875190
2-(5-bromo-2-fluorophenoxy)-6-fluoropyridine
CID 114672244
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 104940722

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine (CID 114677310) is 4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine is CCNc1nccc(Oc2cc(Br)ccc2F)n1.
What is the InChIKey of 4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine?
The InChIKey is ROBYESYGKFABHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-2-15-12-16-6-5-11(17-12)18-10-7-8(13)3-4-9(10)14/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of 4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine?
4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine has a molecular weight of 312.14 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 114677310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).