N-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine

C7H7BrF3N3 — CID 126849106

IUPACN-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCCBr)ncn1
InChIInChI=1S/C7H7BrF3N3/c8-1-2-12-6-3-5(7(9,10)11)13-4-14-6/h3-4H,1-2H2,(H,12,13,14)
InChIKeyXWVCDNHBWHLOLP-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.30
Rot. Bonds3

About N-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine

N-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126849106) has the molecular formula C7H7BrF3N3 and a molecular weight of 270.05 g/mol. Its IUPAC name is N-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126849106
Molecular FormulaC7H7BrF3N3
Molecular Weight270.05 g/mol
Exact Mass268.98
IUPAC NameN-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCCBr)ncn1
InChIInChI=1S/C7H7BrF3N3/c8-1-2-12-6-3-5(7(9,10)11)13-4-14-6/h3-4H,1-2H2,(H,12,13,14)
InChIKeyXWVCDNHBWHLOLP-UHFFFAOYSA-N
XLogP2.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-6-methylpyrimidin-4-amine
CID 126848039
N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 155823149
3-[(6-tert-butylpyrimidin-4-yl)amino]propan-1-ol
CID 126849003
N-(3-bromopropyl)-6-methylpyrimidin-4-amine
CID 126848040
N-(2-bromoethyl)-6-(oxolan-2-yl)pyrimidin-4-amine
CID 126848820
4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine
CID 115523207
2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179368
3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine
CID 156640988
6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327797
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
CID 167408442
6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855199
N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784387

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 126849106) is N-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NCCBr)ncn1.
What is the InChIKey of N-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XWVCDNHBWHLOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3/c8-1-2-12-6-3-5(7(9,10)11)13-4-14-6/h3-4H,1-2H2,(H,12,13,14).
What are the key properties of N-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
N-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 270.05 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126849106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).