5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine

C11H6BrF4N3O — CID 107645852

IUPAC5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine
SMILESCOc1nc(Nc2c(F)c(F)cc(F)c2F)ncc1Br
InChIInChI=1S/C11H6BrF4N3O/c1-20-10-4(12)3-17-11(19-10)18-9-7(15)5(13)2-6(14)8(9)16/h2-3H,1H3,(H,17,18,19)
InChIKeyRDYRYEKPOLXULY-UHFFFAOYSA-N
MW352.09 g/mol
LogP3.55
Rot. Bonds3

About 5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine

5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine (PubChem CID 107645852) has the molecular formula C11H6BrF4N3O and a molecular weight of 352.09 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine
PubChem CID107645852
Molecular FormulaC11H6BrF4N3O
Molecular Weight352.09 g/mol
Exact Mass350.96
IUPAC Name5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine
SMILESCOc1nc(Nc2c(F)c(F)cc(F)c2F)ncc1Br
InChIInChI=1S/C11H6BrF4N3O/c1-20-10-4(12)3-17-11(19-10)18-9-7(15)5(13)2-6(14)8(9)16/h2-3H,1H3,(H,17,18,19)
InChIKeyRDYRYEKPOLXULY-UHFFFAOYSA-N
XLogP3.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.09
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine (CID 107645852) is 5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine is COc1nc(Nc2c(F)c(F)cc(F)c2F)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine?
The InChIKey is RDYRYEKPOLXULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF4N3O/c1-20-10-4(12)3-17-11(19-10)18-9-7(15)5(13)2-6(14)8(9)16/h2-3H,1H3,(H,17,18,19).
What are the key properties of 5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine has a molecular weight of 352.09 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 107645852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).