1,3-dibenzylpteridine-2,4-dione

C20H16N4O2 — CID 13328593

IUPAC1,3-dibenzylpteridine-2,4-dione
SMILESO=c1c2nccnc2n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C20H16N4O2/c25-19-17-18(22-12-11-21-17)23(13-15-7-3-1-4-8-15)20(26)24(19)14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyXAMSGIFQABBGFO-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.05
Rot. Bonds4

About 1,3-dibenzylpteridine-2,4-dione

1,3-dibenzylpteridine-2,4-dione (PubChem CID 13328593) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1,3-dibenzylpteridine-2,4-dione.

Molecular Properties

Compound Name1,3-dibenzylpteridine-2,4-dione
PubChem CID13328593
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name1,3-dibenzylpteridine-2,4-dione
SMILESO=c1c2nccnc2n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C20H16N4O2/c25-19-17-18(22-12-11-21-17)23(13-15-7-3-1-4-8-15)20(26)24(19)14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyXAMSGIFQABBGFO-UHFFFAOYSA-N
XLogP2.05
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]pteridine-2,4-dione
CID 27372860
methyl 2-(3-benzyl-2,4-dioxopteridin-1-yl)acetate
CID 95917303
1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione
CID 27372864
3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233408
2-(3-benzyl-2,4-dioxopteridin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53062713
3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233378
N-benzyl-2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)acetamide
CID 41233357
N-cyclopentyl-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062959
2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 41233349
N-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide
CID 53062913
2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide
CID 53062897
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(3-methylphenyl)acetamide
CID 53062752

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzylpteridine-2,4-dione?
The IUPAC name of 1,3-dibenzylpteridine-2,4-dione (CID 13328593) is 1,3-dibenzylpteridine-2,4-dione.
What is the SMILES notation for 1,3-dibenzylpteridine-2,4-dione?
The canonical SMILES for 1,3-dibenzylpteridine-2,4-dione is O=c1c2nccnc2n(Cc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzylpteridine-2,4-dione?
The InChIKey is XAMSGIFQABBGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-19-17-18(22-12-11-21-17)23(13-15-7-3-1-4-8-15)20(26)24(19)14-16-9-5-2-6-10-16/h1-12H,13-14H2.
What are the key properties of 1,3-dibenzylpteridine-2,4-dione?
1,3-dibenzylpteridine-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzylpteridine-2,4-dione is sourced from PubChem (CID 13328593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).