6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H9BrF3N3S — CID 106769719

IUPAC6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2sccc2Br)nc(C(F)(F)F)n1
InChIInChI=1S/C11H9BrF3N3S/c1-2-16-8-5-7(9-6(12)3-4-19-9)17-10(18-8)11(13,14)15/h3-5H,2H2,1H3,(H,16,17,18)
InChIKeyXFPWZWUXGBCALZ-UHFFFAOYSA-N
MW352.18 g/mol
LogP4.42
Rot. Bonds3

About 6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106769719) has the molecular formula C11H9BrF3N3S and a molecular weight of 352.18 g/mol. Its IUPAC name is 6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106769719
Molecular FormulaC11H9BrF3N3S
Molecular Weight352.18 g/mol
Exact Mass350.97
IUPAC Name6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2sccc2Br)nc(C(F)(F)F)n1
InChIInChI=1S/C11H9BrF3N3S/c1-2-16-8-5-7(9-6(12)3-4-19-9)17-10(18-8)11(13,14)15/h3-5H,2H2,1H3,(H,16,17,18)
InChIKeyXFPWZWUXGBCALZ-UHFFFAOYSA-N
XLogP4.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769352
6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771926
6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769215
N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769220
N-ethyl-6-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769688
6-N-ethyl-4-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771223
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
CID 107361117
6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770554
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769320
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106769719) is 6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(-c2sccc2Br)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XFPWZWUXGBCALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3S/c1-2-16-8-5-7(9-6(12)3-4-19-9)17-10(18-8)11(13,14)15/h3-5H,2H2,1H3,(H,16,17,18).
What are the key properties of 6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 352.18 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106769719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).