5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine

C8H10BrF2N3 — CID 107085159

IUPAC5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine
SMILESCN(CC(F)F)c1ncc(CBr)cn1
InChIInChI=1S/C8H10BrF2N3/c1-14(5-7(10)11)8-12-3-6(2-9)4-13-8/h3-4,7H,2,5H2,1H3
InChIKeyLLLGWGJVOOBDKJ-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.07
Rot. Bonds4

About 5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine

5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine (PubChem CID 107085159) has the molecular formula C8H10BrF2N3 and a molecular weight of 266.09 g/mol. Its IUPAC name is 5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine
PubChem CID107085159
Molecular FormulaC8H10BrF2N3
Molecular Weight266.09 g/mol
Exact Mass265.00
IUPAC Name5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine
SMILESCN(CC(F)F)c1ncc(CBr)cn1
InChIInChI=1S/C8H10BrF2N3/c1-14(5-7(10)11)8-12-3-6(2-9)4-13-8/h3-4,7H,2,5H2,1H3
InChIKeyLLLGWGJVOOBDKJ-UHFFFAOYSA-N
XLogP2.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine (CID 107085159) is 5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine is CN(CC(F)F)c1ncc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine?
The InChIKey is LLLGWGJVOOBDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2N3/c1-14(5-7(10)11)8-12-3-6(2-9)4-13-8/h3-4,7H,2,5H2,1H3.
What are the key properties of 5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine?
5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine has a molecular weight of 266.09 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-(2,2-difluoroethyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 107085159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).