5-bromo-4-(difluoromethyl)-2-methylpyrimidine

C6H5BrF2N2 — CID 105480198

IUPAC5-bromo-4-(difluoromethyl)-2-methylpyrimidine
SMILESCc1ncc(Br)c(C(F)F)n1
InChIInChI=1S/C6H5BrF2N2/c1-3-10-2-4(7)5(11-3)6(8)9/h2,6H,1H3
InChIKeyIZLYMHSEUMYYAP-UHFFFAOYSA-N
MW223.02 g/mol
LogP2.49
Rot. Bonds1

About 5-bromo-4-(difluoromethyl)-2-methylpyrimidine

5-bromo-4-(difluoromethyl)-2-methylpyrimidine (PubChem CID 105480198) has the molecular formula C6H5BrF2N2 and a molecular weight of 223.02 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)-2-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)-2-methylpyrimidine
PubChem CID105480198
Molecular FormulaC6H5BrF2N2
Molecular Weight223.02 g/mol
Exact Mass221.96
IUPAC Name5-bromo-4-(difluoromethyl)-2-methylpyrimidine
SMILESCc1ncc(Br)c(C(F)F)n1
InChIInChI=1S/C6H5BrF2N2/c1-3-10-2-4(7)5(11-3)6(8)9/h2,6H,1H3
InChIKeyIZLYMHSEUMYYAP-UHFFFAOYSA-N
XLogP2.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethyl)-2-methylpyrimidine?
The IUPAC name of 5-bromo-4-(difluoromethyl)-2-methylpyrimidine (CID 105480198) is 5-bromo-4-(difluoromethyl)-2-methylpyrimidine.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)-2-methylpyrimidine?
The canonical SMILES for 5-bromo-4-(difluoromethyl)-2-methylpyrimidine is Cc1ncc(Br)c(C(F)F)n1.
What is the InChIKey of 5-bromo-4-(difluoromethyl)-2-methylpyrimidine?
The InChIKey is IZLYMHSEUMYYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2/c1-3-10-2-4(7)5(11-3)6(8)9/h2,6H,1H3.
What are the key properties of 5-bromo-4-(difluoromethyl)-2-methylpyrimidine?
5-bromo-4-(difluoromethyl)-2-methylpyrimidine has a molecular weight of 223.02 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(difluoromethyl)-2-methylpyrimidine is sourced from PubChem (CID 105480198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).