5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C12H9BrF3N3 — CID 66297991

IUPAC5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C(F)(F)F)cc2)ncc1Br
InChIInChI=1S/C12H9BrF3N3/c1-17-11-9(13)6-18-10(19-11)7-2-4-8(5-3-7)12(14,15)16/h2-6H,1H3,(H,17,18,19)
InChIKeyGBCXWFIIOJXJFT-UHFFFAOYSA-N
MW332.12 g/mol
LogP3.97
Rot. Bonds2

About 5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 66297991) has the molecular formula C12H9BrF3N3 and a molecular weight of 332.12 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID66297991
Molecular FormulaC12H9BrF3N3
Molecular Weight332.12 g/mol
Exact Mass330.99
IUPAC Name5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C(F)(F)F)cc2)ncc1Br
InChIInChI=1S/C12H9BrF3N3/c1-17-11-9(13)6-18-10(19-11)7-2-4-8(5-3-7)12(14,15)16/h2-6H,1H3,(H,17,18,19)
InChIKeyGBCXWFIIOJXJFT-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine
CID 66296832
5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine
CID 114077544
5-bromo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 104823414
5-bromo-2-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-4-amine
CID 66295670
5-bromo-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 66296448
5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine
CID 66304285
5-bromo-2-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80806527
5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 66295477
2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride
CID 121300182
5-bromo-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
CID 66297025
5-bromo-2-(2-chlorophenyl)-N-methylpyrimidin-4-amine
CID 66301431
5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
CID 66301850

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 66297991) is 5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is CNc1nc(-c2ccc(C(F)(F)F)cc2)ncc1Br.
What is the InChIKey of 5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is GBCXWFIIOJXJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3N3/c1-17-11-9(13)6-18-10(19-11)7-2-4-8(5-3-7)12(14,15)16/h2-6H,1H3,(H,17,18,19).
What are the key properties of 5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 332.12 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 66297991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).