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

C15H13FN4O2 — CID 42475261

IUPAC5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(Nc3ccccc3F)ccnc2n(C)c1=O
InChIInChI=1S/C15H13FN4O2/c1-19-13-12(14(21)20(2)15(19)22)11(7-8-17-13)18-10-6-4-3-5-9(10)16/h3-8H,1-2H3,(H,17,18)
InChIKeyZFRSZGBXSCWMMA-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.51
Rot. Bonds2

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

5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 42475261) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID42475261
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(Nc3ccccc3F)ccnc2n(C)c1=O
InChIInChI=1S/C15H13FN4O2/c1-19-13-12(14(21)20(2)15(19)22)11(7-8-17-13)18-10-6-4-3-5-9(10)16/h3-8H,1-2H3,(H,17,18)
InChIKeyZFRSZGBXSCWMMA-UHFFFAOYSA-N
XLogP1.51
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 42475261) is 5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(Nc3ccccc3F)ccnc2n(C)c1=O.
What is the InChIKey of 5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZFRSZGBXSCWMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-19-13-12(14(21)20(2)15(19)22)11(7-8-17-13)18-10-6-4-3-5-9(10)16/h3-8H,1-2H3,(H,17,18).
What are the key properties of 5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 300.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 42475261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).