5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine

C10H13BrF3N3O — CID 103476250

IUPAC5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(COCC(F)(F)F)nc(C)c1Br
InChIInChI=1S/C10H13BrF3N3O/c1-3-15-9-8(11)6(2)16-7(17-9)4-18-5-10(12,13)14/h3-5H2,1-2H3,(H,15,16,17)
InChIKeyUGAQQAQYAXTKKH-UHFFFAOYSA-N
MW328.13 g/mol
LogP3.06
Rot. Bonds5

About 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine

5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (PubChem CID 103476250) has the molecular formula C10H13BrF3N3O and a molecular weight of 328.13 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
PubChem CID103476250
Molecular FormulaC10H13BrF3N3O
Molecular Weight328.13 g/mol
Exact Mass327.02
IUPAC Name5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(COCC(F)(F)F)nc(C)c1Br
InChIInChI=1S/C10H13BrF3N3O/c1-3-15-9-8(11)6(2)16-7(17-9)4-18-5-10(12,13)14/h3-5H2,1-2H3,(H,15,16,17)
InChIKeyUGAQQAQYAXTKKH-UHFFFAOYSA-N
XLogP3.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol
CID 138020226
(2S)-4-[5-bromo-6-(trifluoromethyl)pyrimidin-4-yl]-2-ethylmorpholine
CID 164631030
5-bromo-N-(2,2-dimethoxyethyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 146645523
(2R)-2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 176273264
2-[[5-Bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 176900731
2,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 55031775
2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 55261084
N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 62406391
2-(1-ethoxyethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65998195
2-(ethoxymethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65998196
N-ethyl-5-fluoro-2-(2-methoxyethyl)-6-methylpyrimidin-4-amine
CID 65998399
5-Fluoro-6-methyl-2-(propoxymethyl)pyrimidin-4-amine
CID 65998587

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (CID 103476250) is 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is CCNc1nc(COCC(F)(F)F)nc(C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The InChIKey is UGAQQAQYAXTKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N3O/c1-3-15-9-8(11)6(2)16-7(17-9)4-18-5-10(12,13)14/h3-5H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine has a molecular weight of 328.13 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 103476250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).