6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine

C14H16BrN3O — CID 115403123

IUPAC6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine
SMILESCNc1cncc(Oc2ccc(Br)cc2C(C)C)n1
InChIInChI=1S/C14H16BrN3O/c1-9(2)11-6-10(15)4-5-12(11)19-14-8-17-7-13(16-3)18-14/h4-9H,1-3H3,(H,16,18)
InChIKeyPNJLODBYSHJOKD-UHFFFAOYSA-N
MW322.21 g/mol
LogP4.20
Rot. Bonds4

About 6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine

6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine (PubChem CID 115403123) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine
PubChem CID115403123
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine
SMILESCNc1cncc(Oc2ccc(Br)cc2C(C)C)n1
InChIInChI=1S/C14H16BrN3O/c1-9(2)11-6-10(15)4-5-12(11)19-14-8-17-7-13(16-3)18-14/h4-9H,1-3H3,(H,16,18)
InChIKeyPNJLODBYSHJOKD-UHFFFAOYSA-N
XLogP4.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 113303072
6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine
CID 80881350
N-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 80863610
6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine
CID 80859491
4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 115403079
6-(2-bromophenoxy)-N-methylpyrazin-2-amine
CID 80860426
2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
[6-(4-bromo-2-chlorophenoxy)pyrazin-2-yl]hydrazine
CID 80916570
1-[2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928961
6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine
CID 115403081
3-(4-bromo-2-propan-2-ylphenoxy)-6-(chloromethyl)pyridazine
CID 113303012
N-methyl-6-(3-propan-2-ylphenoxy)pyrazin-2-amine
CID 80863588

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine?
The IUPAC name of 6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine (CID 115403123) is 6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine?
The canonical SMILES for 6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine is CNc1cncc(Oc2ccc(Br)cc2C(C)C)n1.
What is the InChIKey of 6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine?
The InChIKey is PNJLODBYSHJOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9(2)11-6-10(15)4-5-12(11)19-14-8-17-7-13(16-3)18-14/h4-9H,1-3H3,(H,16,18).
What are the key properties of 6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine?
6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine has a molecular weight of 322.21 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine is sourced from PubChem (CID 115403123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).