6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

C17H15FN4O4 — CID 135454261

IUPAC6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)c(/C=N/c3ccc(F)cc3)c(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C17H15FN4O4/c1-20-14-12(16(25)22(3)17(26)21(14)2)13(23)11(15(20)24)8-19-10-6-4-9(18)5-7-10/h4-8,23H,1-3H3/b19-8+
InChIKeyWAJAOUPAPHOOFU-UFWORHAWSA-N
MW358.33 g/mol
LogP0.53
Rot. Bonds2

About 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 135454261) has the molecular formula C17H15FN4O4 and a molecular weight of 358.33 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID135454261
Molecular FormulaC17H15FN4O4
Molecular Weight358.33 g/mol
Exact Mass358.11
IUPAC Name6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)c(/C=N/c3ccc(F)cc3)c(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C17H15FN4O4/c1-20-14-12(16(25)22(3)17(26)21(14)2)13(23)11(15(20)24)8-19-10-6-4-9(18)5-7-10/h4-8,23H,1-3H3/b19-8+
InChIKeyWAJAOUPAPHOOFU-UFWORHAWSA-N
XLogP0.53
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 135454261) is 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(O)c(/C=N/c3ccc(F)cc3)c(=O)n(C)c2n(C)c1=O.
What is the InChIKey of 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is WAJAOUPAPHOOFU-UFWORHAWSA-N. The full InChI is InChI=1S/C17H15FN4O4/c1-20-14-12(16(25)22(3)17(26)21(14)2)13(23)11(15(20)24)8-19-10-6-4-9(18)5-7-10/h4-8,23H,1-3H3/b19-8+.
What are the key properties of 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 358.33 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 135454261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).