4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine

C16H18BrClN2O — CID 80973130

IUPAC4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine
SMILESCc1cc(Br)ccc1Oc1nc(C(C)(C)C)nc(Cl)c1C
InChIInChI=1S/C16H18BrClN2O/c1-9-8-11(17)6-7-12(9)21-14-10(2)13(18)19-15(20-14)16(3,4)5/h6-8H,1-5H3
InChIKeyBJVORGKNDJWNJW-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.60
Rot. Bonds2

About 4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine

4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine (PubChem CID 80973130) has the molecular formula C16H18BrClN2O and a molecular weight of 369.69 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine
PubChem CID80973130
Molecular FormulaC16H18BrClN2O
Molecular Weight369.69 g/mol
Exact Mass368.03
IUPAC Name4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine
SMILESCc1cc(Br)ccc1Oc1nc(C(C)(C)C)nc(Cl)c1C
InChIInChI=1S/C16H18BrClN2O/c1-9-8-11(17)6-7-12(9)21-14-10(2)13(18)19-15(20-14)16(3,4)5/h6-8H,1-5H3
InChIKeyBJVORGKNDJWNJW-UHFFFAOYSA-N
XLogP5.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine
CID 81314867
6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 107287649
2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine
CID 107169151
[2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 80973268
2-tert-butyl-4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidine
CID 80973267
4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 80974321
N-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 80973472
4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine
CID 80948172
4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 114562091
4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine
CID 107283694
6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 80988471
5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine
CID 79440195

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine?
The IUPAC name of 4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine (CID 80973130) is 4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine.
What is the SMILES notation for 4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine?
The canonical SMILES for 4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine is Cc1cc(Br)ccc1Oc1nc(C(C)(C)C)nc(Cl)c1C.
What is the InChIKey of 4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine?
The InChIKey is BJVORGKNDJWNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O/c1-9-8-11(17)6-7-12(9)21-14-10(2)13(18)19-15(20-14)16(3,4)5/h6-8H,1-5H3.
What are the key properties of 4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine?
4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine has a molecular weight of 369.69 g/mol, XLogP of 5.60, 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-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine is sourced from PubChem (CID 80973130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).