8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

C17H17N3O2 — CID 102354391

IUPAC8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C)n(Cc2ccccc2)c2nc(=O)n(C)c(=O)c1-2
InChIInChI=1S/C17H17N3O2/c1-11-9-12(2)20(10-13-7-5-4-6-8-13)15-14(11)16(21)19(3)17(22)18-15/h4-9H,10H2,1-3H3
InChIKeyGRKUVLKYRZINFQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.71
Rot. Bonds2

About 8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 102354391) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID102354391
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C)n(Cc2ccccc2)c2nc(=O)n(C)c(=O)c1-2
InChIInChI=1S/C17H17N3O2/c1-11-9-12(2)20(10-13-7-5-4-6-8-13)15-14(11)16(21)19(3)17(22)18-15/h4-9H,10H2,1-3H3
InChIKeyGRKUVLKYRZINFQ-UHFFFAOYSA-N
XLogP1.71
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 101128565
1-benzyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
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1-benzyl-3,5-dimethylpyrrole-2-carbaldehyde
CID 20620924
1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione
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CID 118357157
3-benzyl-6-hydroxy-2-methylpyrimidin-4-one
CID 135737348
10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione
CID 44631621
1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate
CID 7347203
2-benzyl-8-fluoro-3-methylisoquinolin-1-one
CID 86080289
1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 59067461
1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 23850576
8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione
CID 1097773

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 102354391) is 8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cc1cc(C)n(Cc2ccccc2)c2nc(=O)n(C)c(=O)c1-2.
What is the InChIKey of 8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GRKUVLKYRZINFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-9-12(2)20(10-13-7-5-4-6-8-13)15-14(11)16(21)19(3)17(22)18-15/h4-9H,10H2,1-3H3.
What are the key properties of 8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 295.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 102354391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).