6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine

C12H12BrN3O — CID 116797683

IUPAC6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine
SMILESCc1cc(C)cc(Oc2nc(N)cc(Br)n2)c1
InChIInChI=1S/C12H12BrN3O/c1-7-3-8(2)5-9(4-7)17-12-15-10(13)6-11(14)16-12/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyZIOWZECDYZOGFE-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.23
Rot. Bonds2

About 6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine

6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine (PubChem CID 116797683) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine
PubChem CID116797683
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine
SMILESCc1cc(C)cc(Oc2nc(N)cc(Br)n2)c1
InChIInChI=1S/C12H12BrN3O/c1-7-3-8(2)5-9(4-7)17-12-15-10(13)6-11(14)16-12/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyZIOWZECDYZOGFE-UHFFFAOYSA-N
XLogP3.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazine
CID 139194322
6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine
CID 116797923
6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 102747823
2-(2-bromophenoxy)-6-methylpyrimidin-4-amine
CID 90313951
6-bromo-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 116797954
[4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80915610
6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine
CID 102723602
4-methylpyridine-2,6-diamine
CID 3015981
3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline
CID 112648518
6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine
CID 106668961
3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline
CID 115980929
6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80864323

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine (CID 116797683) is 6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine is Cc1cc(C)cc(Oc2nc(N)cc(Br)n2)c1.
What is the InChIKey of 6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine?
The InChIKey is ZIOWZECDYZOGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-7-3-8(2)5-9(4-7)17-12-15-10(13)6-11(14)16-12/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine?
6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine has a molecular weight of 294.15 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 116797683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).