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

C10H11BrClF3N2O — CID 103473579

IUPAC5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
SMILESCC(C)c1nc(COCC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H11BrClF3N2O/c1-5(2)8-7(11)9(12)17-6(16-8)3-18-4-10(13,14)15/h5H,3-4H2,1-2H3
InChIKeySHBHBNPCKWRNPF-UHFFFAOYSA-N
MW347.56 g/mol
LogP4.09
Rot. Bonds4

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

5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine (PubChem CID 103473579) has the molecular formula C10H11BrClF3N2O and a molecular weight of 347.56 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
PubChem CID103473579
Molecular FormulaC10H11BrClF3N2O
Molecular Weight347.56 g/mol
Exact Mass345.97
IUPAC Name5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
SMILESCC(C)c1nc(COCC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H11BrClF3N2O/c1-5(2)8-7(11)9(12)17-6(16-8)3-18-4-10(13,14)15/h5H,3-4H2,1-2H3
InChIKeySHBHBNPCKWRNPF-UHFFFAOYSA-N
XLogP4.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.56
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine (CID 103473579) is 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine is CC(C)c1nc(COCC(F)(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The InChIKey is SHBHBNPCKWRNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF3N2O/c1-5(2)8-7(11)9(12)17-6(16-8)3-18-4-10(13,14)15/h5H,3-4H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine has a molecular weight of 347.56 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine is sourced from PubChem (CID 103473579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).