N,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine

C17H16F3N5 — CID 56751407

IUPACN,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2nccn2Cc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C17H16F3N5/c1-24(2)16-22-9-13(10-23-16)15-21-7-8-25(15)11-12-5-3-4-6-14(12)17(18,19)20/h3-10H,11H2,1-2H3
InChIKeyJDYGKJVNLAGXAH-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.47
Rot. Bonds4

About N,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine

N,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine (PubChem CID 56751407) has the molecular formula C17H16F3N5 and a molecular weight of 347.34 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine
PubChem CID56751407
Molecular FormulaC17H16F3N5
Molecular Weight347.34 g/mol
Exact Mass347.14
IUPAC NameN,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2nccn2Cc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C17H16F3N5/c1-24(2)16-22-9-13(10-23-16)15-21-7-8-25(15)11-12-5-3-4-6-14(12)17(18,19)20/h3-10H,11H2,1-2H3
InChIKeyJDYGKJVNLAGXAH-UHFFFAOYSA-N
XLogP3.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-5-[1-(2-pyridin-2-ylethyl)imidazol-2-yl]pyrimidin-2-amine
CID 56870823
2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 64830673
2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile
CID 82561735
N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42820580
N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine
CID 82558534
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 62880800
N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998410
2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline
CID 82558943
N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465629
N-[(1-benzylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 133403457
N,N-dimethyl-1-[4-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 154563356
2-[(2-pyridin-4-ylimidazol-1-yl)methyl]aniline
CID 82558959

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine (CID 56751407) is N,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine is CN(C)c1ncc(-c2nccn2Cc2ccccc2C(F)(F)F)cn1.
What is the InChIKey of N,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine?
The InChIKey is JDYGKJVNLAGXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5/c1-24(2)16-22-9-13(10-23-16)15-21-7-8-25(15)11-12-5-3-4-6-14(12)17(18,19)20/h3-10H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine?
N,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine has a molecular weight of 347.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 56751407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).