1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione

C23H21N3O2 — CID 41240420

IUPAC1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccccc3C)c2=O)cc1
InChIInChI=1S/C23H21N3O2/c1-16-9-11-18(12-10-16)14-26-22(27)21-20(8-5-13-24-21)25(23(26)28)15-19-7-4-3-6-17(19)2/h3-13H,14-15H2,1-2H3
InChIKeyFRCRDDILLCEIDK-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.27
Rot. Bonds4

About 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione

1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 41240420) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID41240420
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccccc3C)c2=O)cc1
InChIInChI=1S/C23H21N3O2/c1-16-9-11-18(12-10-16)14-26-22(27)21-20(8-5-13-24-21)25(23(26)28)15-19-7-4-3-6-17(19)2/h3-13H,14-15H2,1-2H3
InChIKeyFRCRDDILLCEIDK-UHFFFAOYSA-N
XLogP3.27
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240558
1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16809673
1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240417
1-butyl-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240386
3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233378
1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240610
1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569480
1-[2-(4-methylphenyl)-2-oxoethyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16951955
3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233408
3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569435
3-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569534
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 27505531

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione (CID 41240420) is 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione is Cc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccccc3C)c2=O)cc1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is FRCRDDILLCEIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-9-11-18(12-10-16)14-26-22(27)21-20(8-5-13-24-21)25(23(26)28)15-19-7-4-3-6-17(19)2/h3-13H,14-15H2,1-2H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 371.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 41240420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).