2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine

C9H12BrFN2 — CID 147920372

IUPAC2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine
SMILESCc1c(F)nc(Br)nc1C(C)(C)C
InChIInChI=1S/C9H12BrFN2/c1-5-6(9(2,3)4)12-8(10)13-7(5)11/h1-4H3
InChIKeyIHXMCVZXKFZQLF-UHFFFAOYSA-N
MW247.11 g/mol
LogP2.98
Rot. Bonds

About 2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine

2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine (PubChem CID 147920372) has the molecular formula C9H12BrFN2 and a molecular weight of 247.11 g/mol. Its IUPAC name is 2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine.

Molecular Properties

Compound Name2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine
PubChem CID147920372
Molecular FormulaC9H12BrFN2
Molecular Weight247.11 g/mol
Exact Mass246.02
IUPAC Name2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine
SMILESCc1c(F)nc(Br)nc1C(C)(C)C
InChIInChI=1S/C9H12BrFN2/c1-5-6(9(2,3)4)12-8(10)13-7(5)11/h1-4H3
InChIKeyIHXMCVZXKFZQLF-UHFFFAOYSA-N
XLogP2.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine?
The IUPAC name of 2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine (CID 147920372) is 2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine.
What is the SMILES notation for 2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine?
The canonical SMILES for 2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine is Cc1c(F)nc(Br)nc1C(C)(C)C.
What is the InChIKey of 2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine?
The InChIKey is IHXMCVZXKFZQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN2/c1-5-6(9(2,3)4)12-8(10)13-7(5)11/h1-4H3.
What are the key properties of 2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine?
2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine has a molecular weight of 247.11 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-tert-butyl-6-fluoro-5-methylpyrimidine is sourced from PubChem (CID 147920372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).