8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one

C17H17FN4O — CID 70665922

IUPAC8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(C)cc2c(C)nc(Nc3ccc(F)cc3)nc21
InChIInChI=1S/C17H17FN4O/c1-4-22-15-14(9-10(2)16(22)23)11(3)19-17(21-15)20-13-7-5-12(18)6-8-13/h5-9H,4H2,1-3H3,(H,19,20,21)
InChIKeyBWVDPHHAUGSDJG-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.31
Rot. Bonds3

About 8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 70665922) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID70665922
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(C)cc2c(C)nc(Nc3ccc(F)cc3)nc21
InChIInChI=1S/C17H17FN4O/c1-4-22-15-14(9-10(2)16(22)23)11(3)19-17(21-15)20-13-7-5-12(18)6-8-13/h5-9H,4H2,1-3H3,(H,19,20,21)
InChIKeyBWVDPHHAUGSDJG-UHFFFAOYSA-N
XLogP3.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one (CID 70665922) is 8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(C)cc2c(C)nc(Nc3ccc(F)cc3)nc21.
What is the InChIKey of 8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BWVDPHHAUGSDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-4-22-15-14(9-10(2)16(22)23)11(3)19-17(21-15)20-13-7-5-12(18)6-8-13/h5-9H,4H2,1-3H3,(H,19,20,21).
What are the key properties of 8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 312.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70665922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).