N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid

C17H22F3N5O3 — CID 154924538

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)nc(CCNC(=O)C(C)n2ccnc2C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H21N5O.C2HF3O2/c1-10-9-11(2)19-14(18-10)5-6-17-15(21)12(3)20-8-7-16-13(20)4;3-2(4,5)1(6)7/h7-9,12H,5-6H2,1-4H3,(H,17,21);(H,6,7)
InChIKeyPXKJFEZRALBREW-UHFFFAOYSA-N
MW401.39 g/mol
LogP2.15
Rot. Bonds5

About N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid (PubChem CID 154924538) has the molecular formula C17H22F3N5O3 and a molecular weight of 401.39 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid
PubChem CID154924538
Molecular FormulaC17H22F3N5O3
Molecular Weight401.39 g/mol
Exact Mass401.17
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)nc(CCNC(=O)C(C)n2ccnc2C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H21N5O.C2HF3O2/c1-10-9-11(2)19-14(18-10)5-6-17-15(21)12(3)20-8-7-16-13(20)4;3-2(4,5)1(6)7/h7-9,12H,5-6H2,1-4H3,(H,17,21);(H,6,7)
InChIKeyPXKJFEZRALBREW-UHFFFAOYSA-N
XLogP2.15
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid 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

3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide
CID 46981387
1-(1H-imidazol-1-yl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propan-2-amine
CID 56714603
N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-2-(1H-pyrazol-1-yl)butanamide
CID 72895949
2-(2-isopropyl-1H-imidazol-1-yl)-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}propanamide
CID 72899172
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-2-(1H-pyrazol-1-yl)butanamide
CID 72921885
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110226389
N-{2-[5-Methyl-1-(propan-2-YL)-1H-imidazol-2-YL]ethyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]acetamide
CID 124078818
US20250019369, Example 22
CID 168879389
US20250019369, Example 23
CID 168879390
CD38 Inhibitor CVN14
CID 168879402
US20250019369, Example 7
CID 168879415
US20250019369, Example 2
CID 168879418

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid (CID 154924538) is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid is Cc1cc(C)nc(CCNC(=O)C(C)n2ccnc2C)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is PXKJFEZRALBREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.C2HF3O2/c1-10-9-11(2)19-14(18-10)5-6-17-15(21)12(3)20-8-7-16-13(20)4;3-2(4,5)1(6)7/h7-9,12H,5-6H2,1-4H3,(H,17,21);(H,6,7).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid?
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 401.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154924538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).