4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine

C14H13BrClFN2O — CID 80948172

IUPAC4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine
SMILESCC(C)(C)c1nc(Cl)cc(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C14H13BrClFN2O/c1-14(2,3)13-18-11(16)7-12(19-13)20-10-5-4-8(15)6-9(10)17/h4-7H,1-3H3
InChIKeyGZHMWUCOICTNTE-UHFFFAOYSA-N
MW359.63 g/mol
LogP5.12
Rot. Bonds2

About 4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine

4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine (PubChem CID 80948172) has the molecular formula C14H13BrClFN2O and a molecular weight of 359.63 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine
PubChem CID80948172
Molecular FormulaC14H13BrClFN2O
Molecular Weight359.63 g/mol
Exact Mass357.99
IUPAC Name4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine
SMILESCC(C)(C)c1nc(Cl)cc(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C14H13BrClFN2O/c1-14(2,3)13-18-11(16)7-12(19-13)20-10-5-4-8(15)6-9(10)17/h4-7H,1-3H3
InChIKeyGZHMWUCOICTNTE-UHFFFAOYSA-N
XLogP5.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.63
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine
CID 80948165
2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine
CID 102981534
2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine
CID 80949039
2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169197
N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 80948291
6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine
CID 80962529
4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine
CID 82824807
2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine
CID 80949430
4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine
CID 107283694
6-(4-bromo-2-fluorophenoxy)pyrimidine-2,4-diamine
CID 80881775
2-tert-butyl-4-chloro-6-(2-nitrophenoxy)pyrimidine
CID 80943264
6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine
CID 80881020

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine?
The IUPAC name of 4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine (CID 80948172) is 4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine.
What is the SMILES notation for 4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine?
The canonical SMILES for 4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine is CC(C)(C)c1nc(Cl)cc(Oc2ccc(Br)cc2F)n1.
What is the InChIKey of 4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine?
The InChIKey is GZHMWUCOICTNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2O/c1-14(2,3)13-18-11(16)7-12(19-13)20-10-5-4-8(15)6-9(10)17/h4-7H,1-3H3.
What are the key properties of 4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine?
4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine has a molecular weight of 359.63 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine is sourced from PubChem (CID 80948172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).