ethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

C18H20FN3O4 — CID 144833106

IUPACethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCC.Cc1ccc(-n2c(=O)n(C)c(=O)c3c(O)cc(=O)n(C)c32)c(F)c1
InChIInChI=1S/C16H14FN3O4.C2H6/c1-8-4-5-10(9(17)6-8)20-14-13(15(23)19(3)16(20)24)11(21)7-12(22)18(14)2;1-2/h4-7,21H,1-3H3;1-2H3
InChIKeyUHQZCXAZVSRKLV-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.57
Rot. Bonds1

About ethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

ethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 144833106) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is ethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Nameethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID144833106
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Nameethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCC.Cc1ccc(-n2c(=O)n(C)c(=O)c3c(O)cc(=O)n(C)c32)c(F)c1
InChIInChI=1S/C16H14FN3O4.C2H6/c1-8-4-5-10(9(17)6-8)20-14-13(15(23)19(3)16(20)24)11(21)7-12(22)18(14)2;1-2/h4-7,21H,1-3H3;1-2H3
InChIKeyUHQZCXAZVSRKLV-UHFFFAOYSA-N
XLogP1.57
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione with MolForge

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Related Compounds

3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 143152648
1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 164519529
3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-6,8-dimethyl-5-sulfanylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 177144816
[1-(2-fluoro-4-iodophenyl)-3,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate
CID 118041784
1-(2-fluoro-4-methylphenyl)-3,6,8-trimethyl-5-[3-(methylsulfanylamino)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 143152782
[3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] hypoiodite
CID 166081012
ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 144833171
tert-butyl 3-[[3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]azetidine-1-carboxylate;ethane
CID 166080841
1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 144833168
ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 144833260
5-(3-aminoanilino)-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 177144822
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112599069

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of ethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 144833106) is ethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for ethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for ethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is CC.Cc1ccc(-n2c(=O)n(C)c(=O)c3c(O)cc(=O)n(C)c32)c(F)c1.
What is the InChIKey of ethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is UHQZCXAZVSRKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4.C2H6/c1-8-4-5-10(9(17)6-8)20-14-13(15(23)19(3)16(20)24)11(21)7-12(22)18(14)2;1-2/h4-7,21H,1-3H3;1-2H3.
What are the key properties of ethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
ethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 361.37 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-fluoro-4-methylphenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 144833106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).