5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine

C7H7BrF2N2 — CID 150163663

IUPAC5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine
SMILESCc1nc(C(C)(F)F)ncc1Br
InChIInChI=1S/C7H7BrF2N2/c1-4-5(8)3-11-6(12-4)7(2,9)10/h3H,1-2H3
InChIKeyFHYOSMVTIIZIIE-UHFFFAOYSA-N
MW237.05 g/mol
LogP2.66
Rot. Bonds1

About 5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine

5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine (PubChem CID 150163663) has the molecular formula C7H7BrF2N2 and a molecular weight of 237.05 g/mol. Its IUPAC name is 5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine
PubChem CID150163663
Molecular FormulaC7H7BrF2N2
Molecular Weight237.05 g/mol
Exact Mass235.98
IUPAC Name5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine
SMILESCc1nc(C(C)(F)F)ncc1Br
InChIInChI=1S/C7H7BrF2N2/c1-4-5(8)3-11-6(12-4)7(2,9)10/h3H,1-2H3
InChIKeyFHYOSMVTIIZIIE-UHFFFAOYSA-N
XLogP2.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.05
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-4-trifluoromethyl-pyrimidin-2-ylamine
CID 45382152
5-Bromo-4-methylpyrimidin-2-amine
CID 18616196
5-Bromo-2-chloro-4-(trifluoromethyl)pyrimidine
CID 11425490
2-Bromo-4-(trifluoromethyl)pyrimidine
CID 11436086
5-Bromo-4-methylpyrimidine
CID 12461863
5-Bromo-2,4-dimethylpyrimidine
CID 12490579
2-Methyl-4-(trifluoromethyl)pyrimidine
CID 10103447
5-Bromo-4-(trifluoromethyl)pyrimidine
CID 11160494
5-Bromopyrimidine-4-carbonitrile
CID 13860987
5-Bromo-2-chloro-4-methylpyrimidine
CID 20600736
2-Chloro-5-fluoro-4-methylpyrimidine
CID 20778073
5-Bromo-4-methyl-2-(trifluoromethyl)pyrimidine
CID 68841653

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine?
The IUPAC name of 5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine (CID 150163663) is 5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine.
What is the SMILES notation for 5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine?
The canonical SMILES for 5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine is Cc1nc(C(C)(F)F)ncc1Br.
What is the InChIKey of 5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine?
The InChIKey is FHYOSMVTIIZIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2/c1-4-5(8)3-11-6(12-4)7(2,9)10/h3H,1-2H3.
What are the key properties of 5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine?
5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine has a molecular weight of 237.05 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,1-difluoroethyl)-4-methylpyrimidine is sourced from PubChem (CID 150163663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).