2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine

C12H13BrFN3S — CID 102843919

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)c(C)s2)nc(C)c1F
InChIInChI=1S/C12H13BrFN3S/c1-4-15-12-10(14)6(2)16-11(17-12)9-5-8(13)7(3)18-9/h5H,4H2,1-3H3,(H,15,16,17)
InChIKeyDIOOBULADQFBAX-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.16
Rot. Bonds3

About 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine

2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 102843919) has the molecular formula C12H13BrFN3S and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID102843919
Molecular FormulaC12H13BrFN3S
Molecular Weight330.23 g/mol
Exact Mass329.00
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)c(C)s2)nc(C)c1F
InChIInChI=1S/C12H13BrFN3S/c1-4-15-12-10(14)6(2)16-11(17-12)9-5-8(13)7(3)18-9/h5H,4H2,1-3H3,(H,15,16,17)
InChIKeyDIOOBULADQFBAX-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 102843917
[2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 102844248
[2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 102844249
2-(4,5-dibromothiophen-2-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 102843946
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472680
2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 102843763
2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 102843910
N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66000022
2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 102843899
2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine
CID 102844138
2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 66000619
5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 102844082

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine (CID 102843919) is 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine is CCNc1nc(-c2cc(Br)c(C)s2)nc(C)c1F.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is DIOOBULADQFBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3S/c1-4-15-12-10(14)6(2)16-11(17-12)9-5-8(13)7(3)18-9/h5H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 330.23 g/mol, XLogP of 4.16, 3 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)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 102843919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).