3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione

C19H18FN3O4 — CID 163708920

IUPAC3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESC=C(C)n1c(=O)c(C)c(O)c2c(=O)n(-c3ccc(C)cc3F)c(=O)n(C)c21
InChIInChI=1S/C19H18FN3O4/c1-9(2)22-16-14(15(24)11(4)17(22)25)18(26)23(19(27)21(16)5)13-7-6-10(3)8-12(13)20/h6-8,24H,1H2,2-5H3
InChIKeyKHMKDBQCCPPJCU-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.80
Rot. Bonds2

About 3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione

3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 163708920) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID163708920
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Name3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESC=C(C)n1c(=O)c(C)c(O)c2c(=O)n(-c3ccc(C)cc3F)c(=O)n(C)c21
InChIInChI=1S/C19H18FN3O4/c1-9(2)22-16-14(15(24)11(4)17(22)25)18(26)23(19(27)21(16)5)13-7-6-10(3)8-12(13)20/h6-8,24H,1H2,2-5H3
InChIKeyKHMKDBQCCPPJCU-UHFFFAOYSA-N
XLogP1.80
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 163708920) is 3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione is C=C(C)n1c(=O)c(C)c(O)c2c(=O)n(-c3ccc(C)cc3F)c(=O)n(C)c21.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is KHMKDBQCCPPJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-9(2)22-16-14(15(24)11(4)17(22)25)18(26)23(19(27)21(16)5)13-7-6-10(3)8-12(13)20/h6-8,24H,1H2,2-5H3.
What are the key properties of 3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione?
3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 371.37 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 163708920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).