6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine

C14H15BrFN3O — CID 80988091

IUPAC6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C14H15BrFN3O/c1-4-12-18-13(17-3)8(2)14(19-12)20-11-6-5-9(15)7-10(11)16/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyQQUOLQXBSTXXII-UHFFFAOYSA-N
MW340.20 g/mol
LogP4.08
Rot. Bonds4

About 6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine

6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80988091) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80988091
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C14H15BrFN3O/c1-4-12-18-13(17-3)8(2)14(19-12)20-11-6-5-9(15)7-10(11)16/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyQQUOLQXBSTXXII-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80988049
6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80989830
6-(4-chloro-3-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 82718447
6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80988469
6-(2-bromo-4-chlorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989565
6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 107287427
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80991039
2-ethyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988466
6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 107287481
2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62193620
6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80994557

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine (CID 80988091) is 6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(NC)c(C)c(Oc2ccc(Br)cc2F)n1.
What is the InChIKey of 6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is QQUOLQXBSTXXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-4-12-18-13(17-3)8(2)14(19-12)20-11-6-5-9(15)7-10(11)16/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 340.20 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80988091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).