3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C19H19F3N4O2 — CID 166228226

IUPAC3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCN(CCn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O)Cc1ccccc1
InChIInChI=1S/C19H19F3N4O2/c1-24(12-13-6-4-3-5-7-13)10-11-26-17(27)14-8-9-15(19(20,21)22)23-16(14)25(2)18(26)28/h3-9H,10-12H2,1-2H3
InChIKeyIXQLIQWETYVTGX-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.25
Rot. Bonds5

About 3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 166228226) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID166228226
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCN(CCn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O)Cc1ccccc1
InChIInChI=1S/C19H19F3N4O2/c1-24(12-13-6-4-3-5-7-13)10-11-26-17(27)14-8-9-15(19(20,21)22)23-16(14)25(2)18(26)28/h3-9H,10-12H2,1-2H3
InChIKeyIXQLIQWETYVTGX-UHFFFAOYSA-N
XLogP2.25
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 33365062
3-[(2-chloroquinolin-3-yl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 38666709
1-methyl-3-[2-(4-methylphenoxy)ethyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 38666059
N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665679
3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 75454825
propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate
CID 33364929
1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 71933639
N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665559
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 33365682
2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 33365540
N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665433
8-[[benzyl(methyl)amino]methyl]-7-[(2R)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CID 7137530

Frequently Asked Questions

What is the IUPAC name of 3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 166228226) is 3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is CN(CCn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O)Cc1ccccc1.
What is the InChIKey of 3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is IXQLIQWETYVTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-24(12-13-6-4-3-5-7-13)10-11-26-17(27)14-8-9-15(19(20,21)22)23-16(14)25(2)18(26)28/h3-9H,10-12H2,1-2H3.
What are the key properties of 3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 392.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 166228226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).