6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine

C13H13BrFN3 — CID 80976858

IUPAC6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C13H13BrFN3/c1-3-11-17-12(7(2)13(16)18-11)9-6-8(14)4-5-10(9)15/h4-6H,3H2,1-2H3,(H2,16,17,18)
InChIKeyOCBUXUBFCDTAEB-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.50
Rot. Bonds2

About 6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine

6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80976858) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID80976858
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C13H13BrFN3/c1-3-11-17-12(7(2)13(16)18-11)9-6-8(14)4-5-10(9)15/h4-6H,3H2,1-2H3,(H2,16,17,18)
InChIKeyOCBUXUBFCDTAEB-UHFFFAOYSA-N
XLogP3.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974700
6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 107514579
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80977034
2-ethyl-5-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 80975340
4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine
CID 79742433
4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831868
4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine
CID 80975131
5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine
CID 62218846
3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670812
6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 106943797
2-ethyl-5-methyl-6-pyrimidin-5-ylpyrimidin-4-amine
CID 80975669
4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80993652

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine (CID 80976858) is 6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(N)c(C)c(-c2cc(Br)ccc2F)n1.
What is the InChIKey of 6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is OCBUXUBFCDTAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-3-11-17-12(7(2)13(16)18-11)9-6-8(14)4-5-10(9)15/h4-6H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine?
6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 310.17 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80976858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).