5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C17H16F2N4O2 — CID 16845356

IUPAC5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1Nc1cc(F)ccc1F)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H16F2N4O2/c1-4-9-8-20-15-13(16(24)23(3)17(25)22(15)2)14(9)21-12-7-10(18)5-6-11(12)19/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeyCFMROLCJJKYIQG-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.22
Rot. Bonds3

About 5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845356) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is 5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845356
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1Nc1cc(F)ccc1F)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H16F2N4O2/c1-4-9-8-20-15-13(16(24)23(3)17(25)22(15)2)14(9)21-12-7-10(18)5-6-11(12)19/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeyCFMROLCJJKYIQG-UHFFFAOYSA-N
XLogP2.22
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 16845356) is 5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCc1cnc2c(c1Nc1cc(F)ccc1F)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CFMROLCJJKYIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c1-4-9-8-20-15-13(16(24)23(3)17(25)22(15)2)14(9)21-12-7-10(18)5-6-11(12)19/h5-8H,4H2,1-3H3,(H,20,21).
What are the key properties of 5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 346.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).