3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione

C23H18F3N3O3 — CID 18569438

IUPAC3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1
InChIInChI=1S/C23H18F3N3O3/c1-32-18-10-6-16(7-11-18)14-29-21(30)20-19(3-2-12-27-20)28(22(29)31)13-15-4-8-17(9-5-15)23(24,25)26/h2-12H,13-14H2,1H3
InChIKeyZJLZZCBSKRUFLX-UHFFFAOYSA-N
MW441.41 g/mol
LogP3.68
Rot. Bonds5

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

3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 18569438) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID18569438
Molecular FormulaC23H18F3N3O3
Molecular Weight441.41 g/mol
Exact Mass441.13
IUPAC Name3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1
InChIInChI=1S/C23H18F3N3O3/c1-32-18-10-6-16(7-11-18)14-29-21(30)20-19(3-2-12-27-20)28(22(29)31)13-15-4-8-17(9-5-15)23(24,25)26/h2-12H,13-14H2,1H3
InChIKeyZJLZZCBSKRUFLX-UHFFFAOYSA-N
XLogP3.68
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569435
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
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
CID 16801733
N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16801730
3-(1,3-benzodioxol-5-ylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 16809357
N-(furan-2-ylmethyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 18569433
N-(5-chloro-2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41233512
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 41233466
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240794
3-[(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240558
3-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569534

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione (CID 18569438) is 3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione is COc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ZJLZZCBSKRUFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c1-32-18-10-6-16(7-11-18)14-29-21(30)20-19(3-2-12-27-20)28(22(29)31)13-15-4-8-17(9-5-15)23(24,25)26/h2-12H,13-14H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 441.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 18569438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).