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

C10H11BrClF3N2O — CID 103473569

IUPAC5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
SMILESCCCc1nc(COCC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H11BrClF3N2O/c1-2-3-6-8(11)9(12)17-7(16-6)4-18-5-10(13,14)15/h2-5H2,1H3
InChIKeyTWAKSWXMRCQGMK-UHFFFAOYSA-N
MW347.56 g/mol
LogP3.92
Rot. Bonds5

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

5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine (PubChem CID 103473569) has the molecular formula C10H11BrClF3N2O and a molecular weight of 347.56 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
PubChem CID103473569
Molecular FormulaC10H11BrClF3N2O
Molecular Weight347.56 g/mol
Exact Mass345.97
IUPAC Name5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
SMILESCCCc1nc(COCC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H11BrClF3N2O/c1-2-3-6-8(11)9(12)17-7(16-6)4-18-5-10(13,14)15/h2-5H2,1H3
InChIKeyTWAKSWXMRCQGMK-UHFFFAOYSA-N
XLogP3.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.56
LogP ≤ 53.92
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-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine (CID 103473569) is 5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine is CCCc1nc(COCC(F)(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The InChIKey is TWAKSWXMRCQGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF3N2O/c1-2-3-6-8(11)9(12)17-7(16-6)4-18-5-10(13,14)15/h2-5H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine has a molecular weight of 347.56 g/mol, XLogP of 3.92, 5 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-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine is sourced from PubChem (CID 103473569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).