6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine

C13H13BrFN3 — CID 106646843

IUPAC6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1-c1cccc(Br)c1F
InChIInChI=1S/C13H13BrFN3/c1-3-8-12(17-7-18-13(8)16-2)9-5-4-6-10(14)11(9)15/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyIIPKMVGYCCOARJ-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.65
Rot. Bonds3

About 6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine

6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 106646843) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID106646843
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1-c1cccc(Br)c1F
InChIInChI=1S/C13H13BrFN3/c1-3-8-12(17-7-18-13(8)16-2)9-5-4-6-10(14)11(9)15/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyIIPKMVGYCCOARJ-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 106646886
6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine
CID 106646745
5-ethyl-N-methyl-6-(3-methyl-4-pyridinyl)pyrimidin-4-amine
CID 66277968
4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80798019
6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80890612
5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502644
6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 106646829
6-(4-bromo-3-chloro-2-fluorophenyl)-N,5-dimethylpyrimidin-4-amine
CID 106763662
6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
CID 113324856
5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80785119
N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine
CID 82793042
4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 106646781

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine (CID 106646843) is 6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1-c1cccc(Br)c1F.
What is the InChIKey of 6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is IIPKMVGYCCOARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-3-8-12(17-7-18-13(8)16-2)9-5-4-6-10(14)11(9)15/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine?
6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 310.17 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 106646843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).