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

C11H15BrF3N3O — CID 103476252

IUPAC5-bromo-6-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCCCNc1nc(COCC(F)(F)F)nc(C)c1Br
InChIInChI=1S/C11H15BrF3N3O/c1-3-4-16-10-9(12)7(2)17-8(18-10)5-19-6-11(13,14)15/h3-6H2,1-2H3,(H,16,17,18)
InChIKeyYWUUQUFAOAWBFS-UHFFFAOYSA-N
MW342.16 g/mol
LogP3.45
Rot. Bonds6

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

5-bromo-6-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (PubChem CID 103476252) has the molecular formula C11H15BrF3N3O and a molecular weight of 342.16 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
PubChem CID103476252
Molecular FormulaC11H15BrF3N3O
Molecular Weight342.16 g/mol
Exact Mass341.04
IUPAC Name5-bromo-6-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCCCNc1nc(COCC(F)(F)F)nc(C)c1Br
InChIInChI=1S/C11H15BrF3N3O/c1-3-4-16-10-9(12)7(2)17-8(18-10)5-19-6-11(13,14)15/h3-6H2,1-2H3,(H,16,17,18)
InChIKeyYWUUQUFAOAWBFS-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 53.45
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-6-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (CID 103476252) is 5-bromo-6-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is CCCNc1nc(COCC(F)(F)F)nc(C)c1Br.
What is the InChIKey of 5-bromo-6-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The InChIKey is YWUUQUFAOAWBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3N3O/c1-3-4-16-10-9(12)7(2)17-8(18-10)5-19-6-11(13,14)15/h3-6H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-6-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
5-bromo-6-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine has a molecular weight of 342.16 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 103476252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).