5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine

C11H9Br2N3O — CID 83134763

IUPAC5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
SMILESCc1cc(Oc2nc(N)ncc2Br)ccc1Br
InChIInChI=1S/C11H9Br2N3O/c1-6-4-7(2-3-8(6)12)17-10-9(13)5-15-11(14)16-10/h2-5H,1H3,(H2,14,15,16)
InChIKeyYXIOTAKDGUCCBK-UHFFFAOYSA-N
MW359.02 g/mol
LogP3.68
Rot. Bonds2

About 5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine

5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine (PubChem CID 83134763) has the molecular formula C11H9Br2N3O and a molecular weight of 359.02 g/mol. Its IUPAC name is 5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
PubChem CID83134763
Molecular FormulaC11H9Br2N3O
Molecular Weight359.02 g/mol
Exact Mass356.91
IUPAC Name5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
SMILESCc1cc(Oc2nc(N)ncc2Br)ccc1Br
InChIInChI=1S/C11H9Br2N3O/c1-6-4-7(2-3-8(6)12)17-10-9(13)5-15-11(14)16-10/h2-5H,1H3,(H2,14,15,16)
InChIKeyYXIOTAKDGUCCBK-UHFFFAOYSA-N
XLogP3.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.02
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine
CID 80869770
4-(4-bromo-3-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333341
5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine
CID 80882067
4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine
CID 83132767
6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 83134293
5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine
CID 80869635
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine
CID 83135228
5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863693
2-(4-bromo-3-methylphenoxy)-3-methylpyridine
CID 83139867
3-(2-amino-5-bromopyrimidin-4-yl)oxybenzonitrile
CID 80863504
5-bromo-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine
CID 80874710
1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 83134824

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine (CID 83134763) is 5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine is Cc1cc(Oc2nc(N)ncc2Br)ccc1Br.
What is the InChIKey of 5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine?
The InChIKey is YXIOTAKDGUCCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3O/c1-6-4-7(2-3-8(6)12)17-10-9(13)5-15-11(14)16-10/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine?
5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine has a molecular weight of 359.02 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 83134763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).