ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione

C18H21FN4O2 — CID 143711337

IUPACethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCC.Cc1ccc(Nc2cc(=O)n(C)c3ncn(C)c(=O)c23)c(F)c1
InChIInChI=1S/C16H15FN4O2.C2H6/c1-9-4-5-11(10(17)6-9)19-12-7-13(22)21(3)15-14(12)16(23)20(2)8-18-15;1-2/h4-8,19H,1-3H3;1-2H3
InChIKeyFAMXTLYRXGXWRT-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.85
Rot. Bonds2

About ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione

ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 143711337) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Nameethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID143711337
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Nameethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCC.Cc1ccc(Nc2cc(=O)n(C)c3ncn(C)c(=O)c23)c(F)c1
InChIInChI=1S/C16H15FN4O2.C2H6/c1-9-4-5-11(10(17)6-9)19-12-7-13(22)21(3)15-14(12)16(23)20(2)8-18-15;1-2/h4-8,19H,1-3H3;1-2H3
InChIKeyFAMXTLYRXGXWRT-UHFFFAOYSA-N
XLogP2.85
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione 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

methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate
CID 143711375
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
5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711343
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-(4-amino-2-fluoroanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 135741654
N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 26692384
3-[(2R)-2,3-dihydroxypropyl]-5-[2-fluoro-4-(methylsulfonylmethyl)anilino]-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 58191935
4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
CID 11482748
(3,8-dimethyl-4,7-dioxopyrido[2,3-d]pyrimidin-5-yl) 4-methylbenzenesulfonate
CID 59823038
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 42475261

Frequently Asked Questions

What is the IUPAC name of ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione (CID 143711337) is ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione is CC.Cc1ccc(Nc2cc(=O)n(C)c3ncn(C)c(=O)c23)c(F)c1.
What is the InChIKey of ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is FAMXTLYRXGXWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2.C2H6/c1-9-4-5-11(10(17)6-9)19-12-7-13(22)21(3)15-14(12)16(23)20(2)8-18-15;1-2/h4-8,19H,1-3H3;1-2H3.
What are the key properties of ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 344.39 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 143711337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).