1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione

C20H14F2N4O2 — CID 27372864

IUPAC1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione
SMILESO=c1c2nccnc2n(Cc2cccc(F)c2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C20H14F2N4O2/c21-15-6-4-13(5-7-15)11-26-19(27)17-18(24-9-8-23-17)25(20(26)28)12-14-2-1-3-16(22)10-14/h1-10H,11-12H2
InChIKeyHEZYPFSMLWVAAQ-UHFFFAOYSA-N
MW380.35 g/mol
LogP2.33
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione

1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione (PubChem CID 27372864) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione
PubChem CID27372864
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione
SMILESO=c1c2nccnc2n(Cc2cccc(F)c2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C20H14F2N4O2/c21-15-6-4-13(5-7-15)11-26-19(27)17-18(24-9-8-23-17)25(20(26)28)12-14-2-1-3-16(22)10-14/h1-10H,11-12H2
InChIKeyHEZYPFSMLWVAAQ-UHFFFAOYSA-N
XLogP2.33
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dibenzylpteridine-2,4-dione
CID 13328593
3-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]pteridine-2,4-dione
CID 27372860
1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16951818
1-ethyl-4-[(3-fluorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-3-methylpyrazolo[4,5-d]pyrimidine-5,7-dione
CID 53050847
1-[(3-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16841979
1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240417
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879791
3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569469
ethyl 2-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopteridin-1-yl]acetyl]amino]benzoate
CID 27371875
methyl 2-(3-benzyl-2,4-dioxopteridin-1-yl)acetate
CID 95917303
2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]pteridin-4-one
CID 22518637
1-benzyl-7-[(3-fluorophenyl)methyl]-3-phenylpurine-2,6-dione
CID 46061280

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione (CID 27372864) is 1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione is O=c1c2nccnc2n(Cc2cccc(F)c2)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione?
The InChIKey is HEZYPFSMLWVAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c21-15-6-4-13(5-7-15)11-26-19(27)17-18(24-9-8-23-17)25(20(26)28)12-14-2-1-3-16(22)10-14/h1-10H,11-12H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione?
1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione has a molecular weight of 380.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]pteridine-2,4-dione is sourced from PubChem (CID 27372864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).