4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine

C6H6BrF2N3O2 — CID 70411459

IUPAC4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(OC(F)(F)Br)nc(N)n1
InChIInChI=1S/C6H6BrF2N3O2/c1-13-3-2-4(12-5(10)11-3)14-6(7,8)9/h2H,1H3,(H2,10,11,12)
InChIKeyOIWMECRNYFPEOC-UHFFFAOYSA-N
MW270.03 g/mol
LogP1.39
Rot. Bonds3

About 4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine

4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine (PubChem CID 70411459) has the molecular formula C6H6BrF2N3O2 and a molecular weight of 270.03 g/mol. Its IUPAC name is 4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine
PubChem CID70411459
Molecular FormulaC6H6BrF2N3O2
Molecular Weight270.03 g/mol
Exact Mass268.96
IUPAC Name4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(OC(F)(F)Br)nc(N)n1
InChIInChI=1S/C6H6BrF2N3O2/c1-13-3-2-4(12-5(10)11-3)14-6(7,8)9/h2H,1H3,(H2,10,11,12)
InChIKeyOIWMECRNYFPEOC-UHFFFAOYSA-N
XLogP1.39
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.03
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine (CID 70411459) is 4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine is COc1cc(OC(F)(F)Br)nc(N)n1.
What is the InChIKey of 4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine?
The InChIKey is OIWMECRNYFPEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2N3O2/c1-13-3-2-4(12-5(10)11-3)14-6(7,8)9/h2H,1H3,(H2,10,11,12).
What are the key properties of 4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine?
4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine has a molecular weight of 270.03 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 70411459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).