5-bromo-2,6-dimethoxypyrimidin-4-amine

C6H8BrN3O2 — CID 15645904

IUPAC5-bromo-2,6-dimethoxypyrimidin-4-amine
SMILESCOc1nc(N)c(Br)c(OC)n1
InChIInChI=1S/C6H8BrN3O2/c1-11-5-3(7)4(8)9-6(10-5)12-2/h1-2H3,(H2,8,9,10)
InChIKeyKKXOPNKWTAIHTO-UHFFFAOYSA-N
MW234.05 g/mol
LogP0.84
Rot. Bonds2

About 5-bromo-2,6-dimethoxypyrimidin-4-amine

5-bromo-2,6-dimethoxypyrimidin-4-amine (PubChem CID 15645904) has the molecular formula C6H8BrN3O2 and a molecular weight of 234.05 g/mol. Its IUPAC name is 5-bromo-2,6-dimethoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2,6-dimethoxypyrimidin-4-amine
PubChem CID15645904
Molecular FormulaC6H8BrN3O2
Molecular Weight234.05 g/mol
Exact Mass232.98
IUPAC Name5-bromo-2,6-dimethoxypyrimidin-4-amine
SMILESCOc1nc(N)c(Br)c(OC)n1
InChIInChI=1S/C6H8BrN3O2/c1-11-5-3(7)4(8)9-6(10-5)12-2/h1-2H3,(H2,8,9,10)
InChIKeyKKXOPNKWTAIHTO-UHFFFAOYSA-N
XLogP0.84
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.05
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,6-dimethoxypyrimidin-4-amine?
The IUPAC name of 5-bromo-2,6-dimethoxypyrimidin-4-amine (CID 15645904) is 5-bromo-2,6-dimethoxypyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2,6-dimethoxypyrimidin-4-amine?
The canonical SMILES for 5-bromo-2,6-dimethoxypyrimidin-4-amine is COc1nc(N)c(Br)c(OC)n1.
What is the InChIKey of 5-bromo-2,6-dimethoxypyrimidin-4-amine?
The InChIKey is KKXOPNKWTAIHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O2/c1-11-5-3(7)4(8)9-6(10-5)12-2/h1-2H3,(H2,8,9,10).
What are the key properties of 5-bromo-2,6-dimethoxypyrimidin-4-amine?
5-bromo-2,6-dimethoxypyrimidin-4-amine has a molecular weight of 234.05 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,6-dimethoxypyrimidin-4-amine is sourced from PubChem (CID 15645904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).