N,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine

C9H12F3N3 — CID 67889930

IUPACN,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine
SMILESCN(C)Cc1ncc(CC(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3/c1-15(2)6-8-13-4-7(5-14-8)3-9(10,11)12/h4-5H,3,6H2,1-2H3
InChIKeyYYAWDPXUOISQFN-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.64
Rot. Bonds3

About N,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine

N,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine (PubChem CID 67889930) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine
PubChem CID67889930
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC NameN,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine
SMILESCN(C)Cc1ncc(CC(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3/c1-15(2)6-8-13-4-7(5-14-8)3-9(10,11)12/h4-5H,3,6H2,1-2H3
InChIKeyYYAWDPXUOISQFN-UHFFFAOYSA-N
XLogP1.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine 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

2-Chloro-5-ethylpyrimidine
CID 3572763
2,5-Dimethylpyrimidine
CID 535856
5-Ethylpyrimidin-2-amine
CID 23131355
2-(2-Cyclopropylpyrimidin-5-yl)ethan-1-amine
CID 62757903
1-[5-(Trifluoromethyl)pyrimidin-2-yl]methanamine hydrochloride
CID 91825804
2-Chloro-5-(2-fluoropropan-2-yl)pyrimidine
CID 165754623
5-Methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 445780
4-(4,4-Difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine
CID 50982072
2-Methyl-5-(trifluoromethyl)pyrimidine
CID 10909872
5-Pent afluoroethyl-pyrimidine
CID 54178440
2-Methyl-5-ethylpyrimidine
CID 12356147
2,4,5-Trimethylpyrimidine
CID 21034539

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine (CID 67889930) is N,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine is CN(C)Cc1ncc(CC(F)(F)F)cn1.
What is the InChIKey of N,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine?
The InChIKey is YYAWDPXUOISQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-15(2)6-8-13-4-7(5-14-8)3-9(10,11)12/h4-5H,3,6H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine?
N,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine has a molecular weight of 219.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 67889930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).