5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine

C11H14BrF3N2 — CID 137459069

IUPAC5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1nc(C(F)(F)F)nc(C(C)C)c1Br
InChIInChI=1S/C11H14BrF3N2/c1-5(2)8-7(12)9(6(3)4)17-10(16-8)11(13,14)15/h5-6H,1-4H3
InChIKeyAUTNDCIFRJWHTE-UHFFFAOYSA-N
MW311.15 g/mol
LogP4.50
Rot. Bonds2

About 5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine

5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 137459069) has the molecular formula C11H14BrF3N2 and a molecular weight of 311.15 g/mol. Its IUPAC name is 5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID137459069
Molecular FormulaC11H14BrF3N2
Molecular Weight311.15 g/mol
Exact Mass310.03
IUPAC Name5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1nc(C(F)(F)F)nc(C(C)C)c1Br
InChIInChI=1S/C11H14BrF3N2/c1-5(2)8-7(12)9(6(3)4)17-10(16-8)11(13,14)15/h5-6H,1-4H3
InChIKeyAUTNDCIFRJWHTE-UHFFFAOYSA-N
XLogP4.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-4-cyclopropyl-6-methyl-pyrimidine
CID 101043834
4,5,6-Tritert-butyl-2-(trifluoromethyl)pyrimidine
CID 14691551
5-Fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine
CID 14112676
4-Ethyl-5-fluoro-2,6-dimethylpyrimidine
CID 23544404
4,6-Diethyl-5-fluoro-2-propan-2-ylpyrimidine
CID 58252353
2-Methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine
CID 58826806
4-Methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 66807297
4,5-Dimethyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 68402326
2-(Difluoromethyl)-4-methyl-6-propan-2-ylpyrimidine
CID 89505676
4-Cyclopropyl-2-ethenyl-5-fluoro-6-methylpyrimidine
CID 90464587
4-Ethyl-6-methyl-5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)pyrimidine
CID 117884251
4-(Difluoromethyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbonitrile
CID 118582241

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine (CID 137459069) is 5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine is CC(C)c1nc(C(F)(F)F)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is AUTNDCIFRJWHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N2/c1-5(2)8-7(12)9(6(3)4)17-10(16-8)11(13,14)15/h5-6H,1-4H3.
What are the key properties of 5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine?
5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 311.15 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 137459069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).