6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine

C11H11BrN4O — CID 80876756

IUPAC6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Oc2cncc(Br)c2)nc(C)n1
InChIInChI=1S/C11H11BrN4O/c1-7-15-10(13-2)4-11(16-7)17-9-3-8(12)5-14-6-9/h3-6H,1-2H3,(H,13,15,16)
InChIKeyYQJLOAFJCXKBSQ-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.78
Rot. Bonds3

About 6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine

6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine (PubChem CID 80876756) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine
PubChem CID80876756
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Oc2cncc(Br)c2)nc(C)n1
InChIInChI=1S/C11H11BrN4O/c1-7-15-10(13-2)4-11(16-7)17-9-3-8(12)5-14-6-9/h3-6H,1-2H3,(H,13,15,16)
InChIKeyYQJLOAFJCXKBSQ-UHFFFAOYSA-N
XLogP2.78
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine (CID 80876756) is 6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine is CNc1cc(Oc2cncc(Br)c2)nc(C)n1.
What is the InChIKey of 6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine?
The InChIKey is YQJLOAFJCXKBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-7-15-10(13-2)4-11(16-7)17-9-3-8(12)5-14-6-9/h3-6H,1-2H3,(H,13,15,16).
What are the key properties of 6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine?
6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine has a molecular weight of 295.14 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80876756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).