6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine

C14H15BrClN3O — CID 80962529

IUPAC6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)cc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C14H15BrClN3O/c1-14(2,3)13-18-11(17)7-12(19-13)20-10-6-8(15)4-5-9(10)16/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyQPQHWZATKXLWOD-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.56
Rot. Bonds2

About 6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine

6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine (PubChem CID 80962529) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine
PubChem CID80962529
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)cc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C14H15BrClN3O/c1-14(2,3)13-18-11(17)7-12(19-13)20-10-6-8(15)4-5-9(10)16/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyQPQHWZATKXLWOD-UHFFFAOYSA-N
XLogP4.56
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
CID 80965893
4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine
CID 107283694
4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine
CID 80948172
6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine
CID 80881336
4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine
CID 80943851
6-(4-bromo-2-chlorophenoxy)-2-propylpyrimidin-4-amine
CID 80949627
6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine
CID 80941871
5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine
CID 80880013
4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine
CID 80880367
4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene
CID 162775406
6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 107287649
4-(5-bromo-2-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332585

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine (CID 80962529) is 6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine is CC(C)(C)c1nc(N)cc(Oc2cc(Br)ccc2Cl)n1.
What is the InChIKey of 6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine?
The InChIKey is QPQHWZATKXLWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-14(2,3)13-18-11(17)7-12(19-13)20-10-6-8(15)4-5-9(10)16/h4-7H,1-3H3,(H2,17,18,19).
What are the key properties of 6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine?
6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine has a molecular weight of 356.65 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine is sourced from PubChem (CID 80962529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).