5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione

C17H17FN4O3 — CID 24963598

IUPAC5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1c(Nc2ccccc2F)c2c(=O)n(CCO)cnc2n(C)c1=O
InChIInChI=1S/C17H17FN4O3/c1-10-14(20-12-6-4-3-5-11(12)18)13-15(21(2)16(10)24)19-9-22(7-8-23)17(13)25/h3-6,9,20,23H,7-8H2,1-2H3
InChIKeyDKGMZLYHSWZEGO-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.28
Rot. Bonds4

About 5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione

5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 24963598) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID24963598
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1c(Nc2ccccc2F)c2c(=O)n(CCO)cnc2n(C)c1=O
InChIInChI=1S/C17H17FN4O3/c1-10-14(20-12-6-4-3-5-11(12)18)13-15(21(2)16(10)24)19-9-22(7-8-23)17(13)25/h3-6,9,20,23H,7-8H2,1-2H3
InChIKeyDKGMZLYHSWZEGO-UHFFFAOYSA-N
XLogP1.28
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione (CID 24963598) is 5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione is Cc1c(Nc2ccccc2F)c2c(=O)n(CCO)cnc2n(C)c1=O.
What is the InChIKey of 5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is DKGMZLYHSWZEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-10-14(20-12-6-4-3-5-11(12)18)13-15(21(2)16(10)24)19-9-22(7-8-23)17(13)25/h3-6,9,20,23H,7-8H2,1-2H3.
What are the key properties of 5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 344.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-3-(2-hydroxyethyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 24963598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).