6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione

C17H19F3N4O3 — CID 27243240

IUPAC6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione
SMILESCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O3/c1-22(8-10-4-6-11(7-5-10)17(18,19)20)9-12(25)13-14(21)23(2)16(27)24(3)15(13)26/h4-7H,8-9,21H2,1-3H3
InChIKeyHBFFIDRZJKWTQU-UHFFFAOYSA-N
MW384.36 g/mol
LogP1.00
Rot. Bonds5

About 6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione (PubChem CID 27243240) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione
PubChem CID27243240
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione
SMILESCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O3/c1-22(8-10-4-6-11(7-5-10)17(18,19)20)9-12(25)13-14(21)23(2)16(27)24(3)15(13)26/h4-7H,8-9,21H2,1-3H3
InChIKeyHBFFIDRZJKWTQU-UHFFFAOYSA-N
XLogP1.00
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27206199
6-amino-5-[2-[(4-tert-butylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 8908549
6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27249624
6-amino-1-benzyl-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 4793867
6-amino-1,3-dimethyl-5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]pyrimidine-2,4-dione
CID 26687187
6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione
CID 9261415
6-amino-1-benzyl-5-[2-[(4-tert-butylphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione
CID 2115380
6-amino-1,3-dimethyl-5-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrimidine-2,4-dione
CID 16581259
ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60690805
[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 2477702
6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
CID 9102366
6-amino-1-benzyl-3-methyl-5-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrimidine-2,4-dione
CID 56509256

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione (CID 27243240) is 6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione is CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione?
The InChIKey is HBFFIDRZJKWTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c1-22(8-10-4-6-11(7-5-10)17(18,19)20)9-12(25)13-14(21)23(2)16(27)24(3)15(13)26/h4-7H,8-9,21H2,1-3H3.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione has a molecular weight of 384.36 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 27243240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).