propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate

C14H14F3N3O4 — CID 33364929

IUPACpropan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate
SMILESCC(C)OC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O
InChIInChI=1S/C14H14F3N3O4/c1-7(2)24-10(21)6-20-12(22)8-4-5-9(14(15,16)17)18-11(8)19(3)13(20)23/h4-5,7H,6H2,1-3H3
InChIKeyZXZLEHWVZILSQF-UHFFFAOYSA-N
MW345.28 g/mol
LogP1.07
Rot. Bonds3

About propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate

propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate (PubChem CID 33364929) has the molecular formula C14H14F3N3O4 and a molecular weight of 345.28 g/mol. Its IUPAC name is propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate
PubChem CID33364929
Molecular FormulaC14H14F3N3O4
Molecular Weight345.28 g/mol
Exact Mass345.09
IUPAC Namepropan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate
SMILESCC(C)OC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O
InChIInChI=1S/C14H14F3N3O4/c1-7(2)24-10(21)6-20-12(22)8-4-5-9(14(15,16)17)18-11(8)19(3)13(20)23/h4-5,7H,6H2,1-3H3
InChIKeyZXZLEHWVZILSQF-UHFFFAOYSA-N
XLogP1.07
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate 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-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 33365540
N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665559
N-cyclohexyl-N-ethyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665679
1-methyl-3-[2-(4-methylphenoxy)ethyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 38666059
N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665433
N-(2,1,3-benzothiadiazol-4-yl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38666355
1-methyl-3-(1,3-thiazol-4-ylmethyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 71933639
3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 33365062
3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 75454825
N-(2-chloro-5-nitrophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665707
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 33365682
3-[2-[benzyl(methyl)amino]ethyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 166228226

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate?
The IUPAC name of propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate (CID 33364929) is propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate?
The canonical SMILES for propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate is CC(C)OC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O.
What is the InChIKey of propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate?
The InChIKey is ZXZLEHWVZILSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O4/c1-7(2)24-10(21)6-20-12(22)8-4-5-9(14(15,16)17)18-11(8)19(3)13(20)23/h4-5,7H,6H2,1-3H3.
What are the key properties of propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate?
propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate has a molecular weight of 345.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetate is sourced from PubChem (CID 33364929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).