5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine

C7H7BrF2N2O2 — CID 59058126

IUPAC5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine
SMILESCOc1nc(C)nc(OC(F)F)c1Br
InChIInChI=1S/C7H7BrF2N2O2/c1-3-11-5(13-2)4(8)6(12-3)14-7(9)10/h7H,1-2H3
InChIKeyDIVPMWFXQNTISB-UHFFFAOYSA-N
MW269.05 g/mol
LogP2.16
Rot. Bonds3

About 5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine

5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine (PubChem CID 59058126) has the molecular formula C7H7BrF2N2O2 and a molecular weight of 269.05 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine
PubChem CID59058126
Molecular FormulaC7H7BrF2N2O2
Molecular Weight269.05 g/mol
Exact Mass267.97
IUPAC Name5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine
SMILESCOc1nc(C)nc(OC(F)F)c1Br
InChIInChI=1S/C7H7BrF2N2O2/c1-3-11-5(13-2)4(8)6(12-3)14-7(9)10/h7H,1-2H3
InChIKeyDIVPMWFXQNTISB-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-4,6-dimethoxy-2-methylpyrimidine
CID 45117354
5-Bromo-4,6-dimethoxypyrimidin-2-amine
CID 83895844
4-Fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine
CID 13379302
2,4,6-Trimethoxy-5-(trifluoromethyl)pyrimidine
CID 102101568
4,6-Bis(difluoromethoxy)-2-methylpyrimidine
CID 20713450
5-Fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine
CID 58252308
2-Chloro-5-fluoro-4,6-dimethoxypyrimidine
CID 58252374
4,6-Bis(fluoromethoxy)pyrimidine-2-carbonitrile
CID 67885012
4,6-Bis(difluoromethoxy)-2-methylpyrimidine-5-thiol
CID 67901957
5-Fluoro-4,6-dimethoxy-2-methylpyrimidine
CID 68338261
5-Bromo-2-cyclopropyl-4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 69745389
4-[Bromo(difluoro)methoxy]-6-methoxypyrimidin-2-amine
CID 70411459

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine?
The IUPAC name of 5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine (CID 59058126) is 5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine.
What is the SMILES notation for 5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine?
The canonical SMILES for 5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine is COc1nc(C)nc(OC(F)F)c1Br.
What is the InChIKey of 5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine?
The InChIKey is DIVPMWFXQNTISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O2/c1-3-11-5(13-2)4(8)6(12-3)14-7(9)10/h7H,1-2H3.
What are the key properties of 5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine?
5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine has a molecular weight of 269.05 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine is sourced from PubChem (CID 59058126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).