6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine

C14H16BrN3OS — CID 107287439

IUPAC6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(Br)ccc2C)nc(SC)n1
InChIInChI=1S/C14H16BrN3OS/c1-4-16-12-8-13(18-14(17-12)20-3)19-11-7-10(15)6-5-9(11)2/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyXNWIHPWZWBMGAD-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.49
Rot. Bonds5

About 6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine

6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 107287439) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is 6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID107287439
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC Name6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(Br)ccc2C)nc(SC)n1
InChIInChI=1S/C14H16BrN3OS/c1-4-16-12-8-13(18-14(17-12)20-3)19-11-7-10(15)6-5-9(11)2/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyXNWIHPWZWBMGAD-UHFFFAOYSA-N
XLogP4.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 102989125
6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80880525
N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80869840
N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]-2-methylsulfanylpyrimidin-4-amine
CID 80882701
6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80862821
N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine
CID 81341322
6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine
CID 80941871
N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine
CID 80865847
[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 107287706
6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107171734
2-cyclopropyl-N-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 102988946
N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 102988989

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine (CID 107287439) is 6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine is CCNc1cc(Oc2cc(Br)ccc2C)nc(SC)n1.
What is the InChIKey of 6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is XNWIHPWZWBMGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-4-16-12-8-13(18-14(17-12)20-3)19-11-7-10(15)6-5-9(11)2/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 354.27 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 107287439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).