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

C21H15F2N3O2 — CID 2826300

IUPAC7-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccc(F)cc3)cc(-c3cccc(F)c3)nc2n(C)c1=O
InChIInChI=1S/C21H15F2N3O2/c1-25-19-18(20(27)26(2)21(25)28)16(12-6-8-14(22)9-7-12)11-17(24-19)13-4-3-5-15(23)10-13/h3-11H,1-2H3
InChIKeyYEYHWJFSAABMKC-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.24
Rot. Bonds2

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

7-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2826300) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2826300
Molecular FormulaC21H15F2N3O2
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name7-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccc(F)cc3)cc(-c3cccc(F)c3)nc2n(C)c1=O
InChIInChI=1S/C21H15F2N3O2/c1-25-19-18(20(27)26(2)21(25)28)16(12-6-8-14(22)9-7-12)11-17(24-19)13-4-3-5-15(23)10-13/h3-11H,1-2H3
InChIKeyYEYHWJFSAABMKC-UHFFFAOYSA-N
XLogP3.24
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 2826300) is 7-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccc(F)cc3)cc(-c3cccc(F)c3)nc2n(C)c1=O.
What is the InChIKey of 7-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YEYHWJFSAABMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2/c1-25-19-18(20(27)26(2)21(25)28)16(12-6-8-14(22)9-7-12)11-17(24-19)13-4-3-5-15(23)10-13/h3-11H,1-2H3.
What are the key properties of 7-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 379.37 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2826300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).