5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C7H7BrF3N3 — CID 63874582

IUPAC5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCN(CC(F)(F)F)c1ncc(Br)cn1
InChIInChI=1S/C7H7BrF3N3/c1-14(4-7(9,10)11)6-12-2-5(8)3-13-6/h2-3H,4H2,1H3
InChIKeyHZECQJHIGMVJLW-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.24
Rot. Bonds2

About 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 63874582) has the molecular formula C7H7BrF3N3 and a molecular weight of 270.05 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID63874582
Molecular FormulaC7H7BrF3N3
Molecular Weight270.05 g/mol
Exact Mass268.98
IUPAC Name5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCN(CC(F)(F)F)c1ncc(Br)cn1
InChIInChI=1S/C7H7BrF3N3/c1-14(4-7(9,10)11)6-12-2-5(8)3-13-6/h2-3H,4H2,1H3
InChIKeyHZECQJHIGMVJLW-UHFFFAOYSA-N
XLogP2.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107490318
N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494306
5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
CID 62000949
N'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63873229
N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 63872493
6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116796487
5-bromo-2-(2-fluoropropan-2-yl)pyrimidine
CID 118138846
1-(5-bromopyrimidin-2-yl)-1-methylhydrazine
CID 169495089
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 61374673
4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107541680
methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate
CID 63872672
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 104778120

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 63874582) is 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is CN(CC(F)(F)F)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is HZECQJHIGMVJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3/c1-14(4-7(9,10)11)6-12-2-5(8)3-13-6/h2-3H,4H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 270.05 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 63874582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).