5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C9H11BrF3N3 — CID 107084193

IUPAC5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(CCC(F)(F)F)c1ncc(CBr)cn1
InChIInChI=1S/C9H11BrF3N3/c1-16(3-2-9(11,12)13)8-14-5-7(4-10)6-15-8/h5-6H,2-4H2,1H3
InChIKeyFXJRTVUFPWHWSG-UHFFFAOYSA-N
MW298.11 g/mol
LogP2.76
Rot. Bonds4

About 5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine

5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 107084193) has the molecular formula C9H11BrF3N3 and a molecular weight of 298.11 g/mol. Its IUPAC name is 5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID107084193
Molecular FormulaC9H11BrF3N3
Molecular Weight298.11 g/mol
Exact Mass297.01
IUPAC Name5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(CCC(F)(F)F)c1ncc(CBr)cn1
InChIInChI=1S/C9H11BrF3N3/c1-16(3-2-9(11,12)13)8-14-5-7(4-10)6-15-8/h5-6H,2-4H2,1H3
InChIKeyFXJRTVUFPWHWSG-UHFFFAOYSA-N
XLogP2.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 52.76
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-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 107084193) is 5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine is CN(CCC(F)(F)F)c1ncc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is FXJRTVUFPWHWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3N3/c1-16(3-2-9(11,12)13)8-14-5-7(4-10)6-15-8/h5-6H,2-4H2,1H3.
What are the key properties of 5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 298.11 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 107084193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).