6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

C18H16FN3O3 — CID 134914483

IUPAC6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(=O)c1c(C)nc2c(c1-c1ccc(F)cc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H16FN3O3/c1-9-13(10(2)23)14(11-5-7-12(19)8-6-11)15-16(20-9)21(3)18(25)22(4)17(15)24/h5-8H,1-4H3
InChIKeyUCEYUGZSVPWONF-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.95
Rot. Bonds2

About 6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 134914483) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID134914483
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(=O)c1c(C)nc2c(c1-c1ccc(F)cc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H16FN3O3/c1-9-13(10(2)23)14(11-5-7-12(19)8-6-11)15-16(20-9)21(3)18(25)22(4)17(15)24/h5-8H,1-4H3
InChIKeyUCEYUGZSVPWONF-UHFFFAOYSA-N
XLogP1.95
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 134914483) is 6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is CC(=O)c1c(C)nc2c(c1-c1ccc(F)cc1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UCEYUGZSVPWONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-9-13(10(2)23)14(11-5-7-12(19)8-6-11)15-16(20-9)21(3)18(25)22(4)17(15)24/h5-8H,1-4H3.
What are the key properties of 6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 341.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5-(4-fluorophenyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 134914483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).