5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine

C7H7BrF2N2O2 — CID 163252588

IUPAC5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine
SMILESCOc1nc(C(F)F)nc(OC)c1Br
InChIInChI=1S/C7H7BrF2N2O2/c1-13-6-3(8)7(14-2)12-5(11-6)4(9)10/h4H,1-2H3
InChIKeyIJXPORIYPVIGSP-UHFFFAOYSA-N
MW269.05 g/mol
LogP2.19
Rot. Bonds3

About 5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine

5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine (PubChem CID 163252588) has the molecular formula C7H7BrF2N2O2 and a molecular weight of 269.05 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine
PubChem CID163252588
Molecular FormulaC7H7BrF2N2O2
Molecular Weight269.05 g/mol
Exact Mass267.97
IUPAC Name5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine
SMILESCOc1nc(C(F)F)nc(OC)c1Br
InChIInChI=1S/C7H7BrF2N2O2/c1-13-6-3(8)7(14-2)12-5(11-6)4(9)10/h4H,1-2H3
InChIKeyIJXPORIYPVIGSP-UHFFFAOYSA-N
XLogP2.19
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.05
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine?
The IUPAC name of 5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine (CID 163252588) is 5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine.
What is the SMILES notation for 5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine?
The canonical SMILES for 5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine is COc1nc(C(F)F)nc(OC)c1Br.
What is the InChIKey of 5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine?
The InChIKey is IJXPORIYPVIGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O2/c1-13-6-3(8)7(14-2)12-5(11-6)4(9)10/h4H,1-2H3.
What are the key properties of 5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine?
5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine has a molecular weight of 269.05 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethyl)-4,6-dimethoxypyrimidine is sourced from PubChem (CID 163252588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).