5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine

C7H8BrF2N3 — CID 99983206

IUPAC5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ncnc(C(F)F)c1Br
InChIInChI=1S/C7H8BrF2N3/c1-2-11-7-4(8)5(6(9)10)12-3-13-7/h3,6H,2H2,1H3,(H,11,12,13)
InChIKeyMLAFJQXQOWGKMF-UHFFFAOYSA-N
MW252.06 g/mol
LogP2.61
Rot. Bonds3

About 5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine

5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine (PubChem CID 99983206) has the molecular formula C7H8BrF2N3 and a molecular weight of 252.06 g/mol. Its IUPAC name is 5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine
PubChem CID99983206
Molecular FormulaC7H8BrF2N3
Molecular Weight252.06 g/mol
Exact Mass250.99
IUPAC Name5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ncnc(C(F)F)c1Br
InChIInChI=1S/C7H8BrF2N3/c1-2-11-7-4(8)5(6(9)10)12-3-13-7/h3,6H,2H2,1H3,(H,11,12,13)
InChIKeyMLAFJQXQOWGKMF-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine (CID 99983206) is 5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine is CCNc1ncnc(C(F)F)c1Br.
What is the InChIKey of 5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine?
The InChIKey is MLAFJQXQOWGKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF2N3/c1-2-11-7-4(8)5(6(9)10)12-3-13-7/h3,6H,2H2,1H3,(H,11,12,13).
What are the key properties of 5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine?
5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine has a molecular weight of 252.06 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 99983206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).