5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine

C10H11BrClF3N2 — CID 79954413

IUPAC5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine
SMILESCC(C)c1nc(CCC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H11BrClF3N2/c1-5(2)8-7(11)9(12)17-6(16-8)3-4-10(13,14)15/h5H,3-4H2,1-2H3
InChIKeyFFNRWEHBVUVTOM-UHFFFAOYSA-N
MW331.56 g/mol
LogP4.51
Rot. Bonds3

About 5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine

5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 79954413) has the molecular formula C10H11BrClF3N2 and a molecular weight of 331.56 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID79954413
Molecular FormulaC10H11BrClF3N2
Molecular Weight331.56 g/mol
Exact Mass329.97
IUPAC Name5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine
SMILESCC(C)c1nc(CCC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H11BrClF3N2/c1-5(2)8-7(11)9(12)17-6(16-8)3-4-10(13,14)15/h5H,3-4H2,1-2H3
InChIKeyFFNRWEHBVUVTOM-UHFFFAOYSA-N
XLogP4.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.56
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine (CID 79954413) is 5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine is CC(C)c1nc(CCC(F)(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is FFNRWEHBVUVTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF3N2/c1-5(2)8-7(11)9(12)17-6(16-8)3-4-10(13,14)15/h5H,3-4H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine?
5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 331.56 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 79954413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).