3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione

C16H15N3O3 — CID 59823050

IUPAC3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1c(O)c2c(=O)n(Cc3ccccc3)cnc2n(C)c1=O
InChIInChI=1S/C16H15N3O3/c1-10-13(20)12-14(18(2)15(10)21)17-9-19(16(12)22)8-11-6-4-3-5-7-11/h3-7,9,20H,8H2,1-2H3
InChIKeyRNDWDRYORWLLHV-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.16
Rot. Bonds2

About 3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione

3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 59823050) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID59823050
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1c(O)c2c(=O)n(Cc3ccccc3)cnc2n(C)c1=O
InChIInChI=1S/C16H15N3O3/c1-10-13(20)12-14(18(2)15(10)21)17-9-19(16(12)22)8-11-6-4-3-5-7-11/h3-7,9,20H,8H2,1-2H3
InChIKeyRNDWDRYORWLLHV-UHFFFAOYSA-N
XLogP1.16
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 59823049
3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 110171162
7-benzyl-1-bromo-3-methylpurine-2,6-dione
CID 141307153
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
3-benzyl-6-hydroxy-7-methylquinazolin-4-one
CID 58824218
7-benzyl-1-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 3041753
7-benzyl-3-butan-2-yl-1-methylpurine-2,6-dione
CID 11544137
3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one
CID 141080903
1-benzyl-4-hydroxy-3-methylimidazol-2-one
CID 54295474
3-benzyl-N-butan-2-yl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110496488
3-benzyl-5-methyl-4-oxo-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 110496526
3-benzyl-N-cycloheptyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110496514

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione (CID 59823050) is 3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione is Cc1c(O)c2c(=O)n(Cc3ccccc3)cnc2n(C)c1=O.
What is the InChIKey of 3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is RNDWDRYORWLLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-13(20)12-14(18(2)15(10)21)17-9-19(16(12)22)8-11-6-4-3-5-7-11/h3-7,9,20H,8H2,1-2H3.
What are the key properties of 3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 297.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59823050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).