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

C6H6BrF2N3 — CID 99983197

IUPAC5-bromo-6-(difluoromethyl)-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(C(F)F)c1Br
InChIInChI=1S/C6H6BrF2N3/c1-10-6-3(7)4(5(8)9)11-2-12-6/h2,5H,1H3,(H,10,11,12)
InChIKeyRWTZEAKKZQJLRA-UHFFFAOYSA-N
MW238.04 g/mol
LogP2.22
Rot. Bonds2

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

5-bromo-6-(difluoromethyl)-N-methylpyrimidin-4-amine (PubChem CID 99983197) has the molecular formula C6H6BrF2N3 and a molecular weight of 238.04 g/mol. Its IUPAC name is 5-bromo-6-(difluoromethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(difluoromethyl)-N-methylpyrimidin-4-amine
PubChem CID99983197
Molecular FormulaC6H6BrF2N3
Molecular Weight238.04 g/mol
Exact Mass236.97
IUPAC Name5-bromo-6-(difluoromethyl)-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(C(F)F)c1Br
InChIInChI=1S/C6H6BrF2N3/c1-10-6-3(7)4(5(8)9)11-2-12-6/h2,5H,1H3,(H,10,11,12)
InChIKeyRWTZEAKKZQJLRA-UHFFFAOYSA-N
XLogP2.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.04
LogP ≤ 52.22
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-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(difluoromethyl)-N-methylpyrimidin-4-amine (CID 99983197) is 5-bromo-6-(difluoromethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(difluoromethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(difluoromethyl)-N-methylpyrimidin-4-amine is CNc1ncnc(C(F)F)c1Br.
What is the InChIKey of 5-bromo-6-(difluoromethyl)-N-methylpyrimidin-4-amine?
The InChIKey is RWTZEAKKZQJLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2N3/c1-10-6-3(7)4(5(8)9)11-2-12-6/h2,5H,1H3,(H,10,11,12).
What are the key properties of 5-bromo-6-(difluoromethyl)-N-methylpyrimidin-4-amine?
5-bromo-6-(difluoromethyl)-N-methylpyrimidin-4-amine has a molecular weight of 238.04 g/mol, XLogP of 2.22, 2 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-methylpyrimidin-4-amine is sourced from PubChem (CID 99983197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).