methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate

C18H17FN4O4 — CID 143711375

IUPACmethyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate
SMILESCOC(=O)Cn1cnc2c(c(Nc3ccc(C)cc3F)cc(=O)n2C)c1=O
InChIInChI=1S/C18H17FN4O4/c1-10-4-5-12(11(19)6-10)21-13-7-14(24)22(2)17-16(13)18(26)23(9-20-17)8-15(25)27-3/h4-7,9,21H,8H2,1-3H3
InChIKeyLLYOBYIMHNSZGZ-UHFFFAOYSA-N
MW372.36 g/mol
LogP1.46
Rot. Bonds4

About methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate

methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate (PubChem CID 143711375) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate
PubChem CID143711375
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Namemethyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate
SMILESCOC(=O)Cn1cnc2c(c(Nc3ccc(C)cc3F)cc(=O)n2C)c1=O
InChIInChI=1S/C18H17FN4O4/c1-10-4-5-12(11(19)6-10)21-13-7-14(24)22(2)17-16(13)18(26)23(9-20-17)8-15(25)27-3/h4-7,9,21H,8H2,1-3H3
InChIKeyLLYOBYIMHNSZGZ-UHFFFAOYSA-N
XLogP1.46
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[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

ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711337
2-fluoro-5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711329
3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 24966788
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7904903
3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711351
5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711343
5-(4-bromo-2-chloroanilino)-3-[(2S)-2,3-dihydroxypropyl]-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 24967139
5-(2-chloro-4-iodoanilino)-3-(2,3-dihydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 67065976
5-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 135741654
ethyl 3-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651914
4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
CID 11482748
6-fluoro-5-(2-fluoro-4-iodoanilino)-3-[(2R)-3-hydroxy-2-methoxypropyl]-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 144762838

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate?
The IUPAC name of methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate (CID 143711375) is methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate?
The canonical SMILES for methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate is COC(=O)Cn1cnc2c(c(Nc3ccc(C)cc3F)cc(=O)n2C)c1=O.
What is the InChIKey of methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate?
The InChIKey is LLYOBYIMHNSZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-10-4-5-12(11(19)6-10)21-13-7-14(24)22(2)17-16(13)18(26)23(9-20-17)8-15(25)27-3/h4-7,9,21H,8H2,1-3H3.
What are the key properties of methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate?
methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate has a molecular weight of 372.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate is sourced from PubChem (CID 143711375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).