2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine

C13H13BrFN3 — CID 114330977

IUPAC2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1cc(-c2nc(C)c(F)c(N)n2)cc(C)c1Br
InChIInChI=1S/C13H13BrFN3/c1-6-4-9(5-7(2)10(6)14)13-17-8(3)11(15)12(16)18-13/h4-5H,1-3H3,(H2,16,17,18)
InChIKeyLBBSEPUIYSDIKJ-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.55
Rot. Bonds1

About 2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine

2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 114330977) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID114330977
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1cc(-c2nc(C)c(F)c(N)n2)cc(C)c1Br
InChIInChI=1S/C13H13BrFN3/c1-6-4-9(5-7(2)10(6)14)13-17-8(3)11(15)12(16)18-13/h4-5H,1-3H3,(H2,16,17,18)
InChIKeyLBBSEPUIYSDIKJ-UHFFFAOYSA-N
XLogP3.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 66000373
2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114330940
5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine
CID 66304664
2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66423699
5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 66303625
5-bromo-6-methyl-2-phenylpyrimidin-4-amine
CID 66304858
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 66303209
4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 114331235
[2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66424697
ethyl 4-amino-2-(4-bromo-3,5-dimethylphenyl)pyrimidine-5-carboxylate
CID 114331281
3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole
CID 86697340
4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 79556620

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine (CID 114330977) is 2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine is Cc1cc(-c2nc(C)c(F)c(N)n2)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is LBBSEPUIYSDIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-6-4-9(5-7(2)10(6)14)13-17-8(3)11(15)12(16)18-13/h4-5H,1-3H3,(H2,16,17,18).
What are the key properties of 2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine?
2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 310.17 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 114330977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).