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

C21H15ClFN3O2 — CID 41240610

IUPAC1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2ncccc2n(Cc2ccccc2Cl)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C21H15ClFN3O2/c22-17-5-2-1-4-15(17)13-25-18-6-3-11-24-19(18)20(27)26(21(25)28)12-14-7-9-16(23)10-8-14/h1-11H,12-13H2
InChIKeyMESQYGRZPXMCMH-UHFFFAOYSA-N
MW395.82 g/mol
LogP3.45
Rot. Bonds4

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

1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 41240610) has the molecular formula C21H15ClFN3O2 and a molecular weight of 395.82 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID41240610
Molecular FormulaC21H15ClFN3O2
Molecular Weight395.82 g/mol
Exact Mass395.08
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2ncccc2n(Cc2ccccc2Cl)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C21H15ClFN3O2/c22-17-5-2-1-4-15(17)13-25-18-6-3-11-24-19(18)20(27)26(21(25)28)12-14-7-9-16(23)10-8-14/h1-11H,12-13H2
InChIKeyMESQYGRZPXMCMH-UHFFFAOYSA-N
XLogP3.45
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 53.45
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-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240417
3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233378
3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569469
1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240420
3-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569534
1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569480
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 41240480
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
CID 18569546
3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233408
1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16809673
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240794

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione (CID 41240610) is 1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione is O=c1c2ncccc2n(Cc2ccccc2Cl)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is MESQYGRZPXMCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2/c22-17-5-2-1-4-15(17)13-25-18-6-3-11-24-19(18)20(27)26(21(25)28)12-14-7-9-16(23)10-8-14/h1-11H,12-13H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 395.82 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 41240610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).