3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione

C22H19N3O2 — CID 41233408

IUPAC3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2ncccc2n(CCc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H19N3O2/c26-21-20-19(12-7-14-23-20)24(15-13-17-8-3-1-4-9-17)22(27)25(21)16-18-10-5-2-6-11-18/h1-12,14H,13,15-16H2
InChIKeyKJYOEXSAQBHCKN-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.85
Rot. Bonds5

About 3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione

3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 41233408) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID41233408
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2ncccc2n(CCc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H19N3O2/c26-21-20-19(12-7-14-23-20)24(15-13-17-8-3-1-4-9-17)22(27)25(21)16-18-10-5-2-6-11-18/h1-12,14H,13,15-16H2
InChIKeyKJYOEXSAQBHCKN-UHFFFAOYSA-N
XLogP2.85
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione
CID 16820310
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
1-butyl-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240386
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
CID 18569546
1,3-dibenzylpteridine-2,4-dione
CID 13328593
1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16809673
2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 41233349
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
CID 16801733
3-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569534
1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240417
1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240420

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione (CID 41233408) is 3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione is O=c1c2ncccc2n(CCc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is KJYOEXSAQBHCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-21-20-19(12-7-14-23-20)24(15-13-17-8-3-1-4-9-17)22(27)25(21)16-18-10-5-2-6-11-18/h1-12,14H,13,15-16H2.
What are the key properties of 3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione?
3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 41233408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).