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

C11H5BrF5N3O — CID 106999041

IUPAC5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
SMILESCOc1nc(Nc2c(F)c(F)c(F)c(F)c2F)ncc1Br
InChIInChI=1S/C11H5BrF5N3O/c1-21-10-3(12)2-18-11(20-10)19-9-7(16)5(14)4(13)6(15)8(9)17/h2H,1H3,(H,18,19,20)
InChIKeyWYFANWBEHUGYQR-UHFFFAOYSA-N
MW370.08 g/mol
LogP3.69
Rot. Bonds3

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

5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine (PubChem CID 106999041) has the molecular formula C11H5BrF5N3O and a molecular weight of 370.08 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
PubChem CID106999041
Molecular FormulaC11H5BrF5N3O
Molecular Weight370.08 g/mol
Exact Mass368.95
IUPAC Name5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
SMILESCOc1nc(Nc2c(F)c(F)c(F)c(F)c2F)ncc1Br
InChIInChI=1S/C11H5BrF5N3O/c1-21-10-3(12)2-18-11(20-10)19-9-7(16)5(14)4(13)6(15)8(9)17/h2H,1H3,(H,18,19,20)
InChIKeyWYFANWBEHUGYQR-UHFFFAOYSA-N
XLogP3.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.08
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine (CID 106999041) is 5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine is COc1nc(Nc2c(F)c(F)c(F)c(F)c2F)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine?
The InChIKey is WYFANWBEHUGYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF5N3O/c1-21-10-3(12)2-18-11(20-10)19-9-7(16)5(14)4(13)6(15)8(9)17/h2H,1H3,(H,18,19,20).
What are the key properties of 5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine has a molecular weight of 370.08 g/mol, XLogP of 3.69, 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-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 106999041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).