4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine

C15H16BrClN2O — CID 82824807

IUPAC4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine
SMILESCC(C)(C)c1nc(Cl)cc(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C15H16BrClN2O/c1-15(2,3)14-18-12(17)8-13(19-14)20-9-10-4-6-11(16)7-5-10/h4-8H,9H2,1-3H3
InChIKeyFFDATPWETROANG-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.77
Rot. Bonds3

About 4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine

4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine (PubChem CID 82824807) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine
PubChem CID82824807
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine
SMILESCC(C)(C)c1nc(Cl)cc(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C15H16BrClN2O/c1-15(2,3)14-18-12(17)8-13(19-14)20-9-10-4-6-11(16)7-5-10/h4-8H,9H2,1-3H3
InChIKeyFFDATPWETROANG-UHFFFAOYSA-N
XLogP4.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine
CID 82824581
4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine
CID 80948172
6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine
CID 82825534
4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine
CID 170577812
2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine
CID 82831567
2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine
CID 102715155
2-bromo-6-[(4-bromophenyl)methoxy]pyridine
CID 82824913
2-tert-butyl-4-chloro-6-(1-methoxypropan-2-yloxy)pyrimidine
CID 80948473
4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine
CID 146671786
1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
CID 107745706
2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine
CID 80948165
1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone
CID 82827387

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine?
The IUPAC name of 4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine (CID 82824807) is 4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine is CC(C)(C)c1nc(Cl)cc(OCc2ccc(Br)cc2)n1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine?
The InChIKey is FFDATPWETROANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-15(2,3)14-18-12(17)8-13(19-14)20-9-10-4-6-11(16)7-5-10/h4-8H,9H2,1-3H3.
What are the key properties of 4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine?
4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine has a molecular weight of 355.66 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine is sourced from PubChem (CID 82824807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).