2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine

C11H11BrFN3S — CID 102843917

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(Br)c(C)s2)nc(C)c1F
InChIInChI=1S/C11H11BrFN3S/c1-5-9(13)11(14-3)16-10(15-5)8-4-7(12)6(2)17-8/h4H,1-3H3,(H,14,15,16)
InChIKeyDKTONWBHIYZSIS-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.77
Rot. Bonds2

About 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine

2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine (PubChem CID 102843917) has the molecular formula C11H11BrFN3S and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
PubChem CID102843917
Molecular FormulaC11H11BrFN3S
Molecular Weight316.20 g/mol
Exact Mass314.98
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(Br)c(C)s2)nc(C)c1F
InChIInChI=1S/C11H11BrFN3S/c1-5-9(13)11(14-3)16-10(15-5)8-4-7(12)6(2)17-8/h4H,1-3H3,(H,14,15,16)
InChIKeyDKTONWBHIYZSIS-UHFFFAOYSA-N
XLogP3.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 102844248
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 102843919
[2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 102844249
2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 102843853
2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 102843905
[2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 115381279
[2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66000247
2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 114076281
3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine
CID 102842233
5-fluoro-N,6-dimethyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
CID 66000214
2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 102844127
[2-(4-bromo-3-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 81441244

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine (CID 102843917) is 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine is CNc1nc(-c2cc(Br)c(C)s2)nc(C)c1F.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The InChIKey is DKTONWBHIYZSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3S/c1-5-9(13)11(14-3)16-10(15-5)8-4-7(12)6(2)17-8/h4H,1-3H3,(H,14,15,16).
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine has a molecular weight of 316.20 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 102843917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).