5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine

C14H13BrClFN2 — CID 66293992

IUPAC5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine
SMILESCC(C)(C)c1nc(-c2cccc(F)c2)nc(Cl)c1Br
InChIInChI=1S/C14H13BrClFN2/c1-14(2,3)11-10(15)12(16)19-13(18-11)8-5-4-6-9(17)7-8/h4-7H,1-3H3
InChIKeyISIHLUYSURREQG-UHFFFAOYSA-N
MW343.63 g/mol
LogP5.00
Rot. Bonds1

About 5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine

5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine (PubChem CID 66293992) has the molecular formula C14H13BrClFN2 and a molecular weight of 343.63 g/mol. Its IUPAC name is 5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine
PubChem CID66293992
Molecular FormulaC14H13BrClFN2
Molecular Weight343.63 g/mol
Exact Mass341.99
IUPAC Name5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine
SMILESCC(C)(C)c1nc(-c2cccc(F)c2)nc(Cl)c1Br
InChIInChI=1S/C14H13BrClFN2/c1-14(2,3)11-10(15)12(16)19-13(18-11)8-5-4-6-9(17)7-8/h4-7H,1-3H3
InChIKeyISIHLUYSURREQG-UHFFFAOYSA-N
XLogP5.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine?
The IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine (CID 66293992) is 5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine?
The canonical SMILES for 5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine is CC(C)(C)c1nc(-c2cccc(F)c2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine?
The InChIKey is ISIHLUYSURREQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2/c1-14(2,3)11-10(15)12(16)19-13(18-11)8-5-4-6-9(17)7-8/h4-7H,1-3H3.
What are the key properties of 5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine?
5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine has a molecular weight of 343.63 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine is sourced from PubChem (CID 66293992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).