4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine

C12H12BrN3O — CID 80864197

IUPAC4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C12H12BrN3O/c1-8-7-11(16-12(14-2)15-8)17-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,14,15,16)
InChIKeyOBQWHKPWXYGUBN-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.38
Rot. Bonds3

About 4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine

4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine (PubChem CID 80864197) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine
PubChem CID80864197
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C12H12BrN3O/c1-8-7-11(16-12(14-2)15-8)17-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,14,15,16)
InChIKeyOBQWHKPWXYGUBN-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine
CID 80865760
4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide
CID 80882151
4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80879463
4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 82718901
4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80873590
N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine
CID 80875932
N,4-dimethyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116794381
N,4-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine
CID 81342537
4-(4-bromo-3-methylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566596
6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80965887
[4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 107727424
4-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfinamide
CID 130420547

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine (CID 80864197) is 4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(Oc2ccc(Br)cc2)n1.
What is the InChIKey of 4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is OBQWHKPWXYGUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-7-11(16-12(14-2)15-8)17-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine?
4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 294.15 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80864197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).