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

C21H17FN4O3 — CID 27372866

IUPAC3-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pteridine-2,4-dione
SMILESCOc1cccc(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nccnc32)c1
InChIInChI=1S/C21H17FN4O3/c1-29-17-4-2-3-15(11-17)13-25-19-18(23-9-10-24-19)20(27)26(21(25)28)12-14-5-7-16(22)8-6-14/h2-11H,12-13H2,1H3
InChIKeyOFJPNACHLLIVBI-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.20
Rot. Bonds5

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

3-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pteridine-2,4-dione (PubChem CID 27372866) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pteridine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pteridine-2,4-dione
PubChem CID27372866
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name3-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pteridine-2,4-dione
SMILESCOc1cccc(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nccnc32)c1
InChIInChI=1S/C21H17FN4O3/c1-29-17-4-2-3-15(11-17)13-25-19-18(23-9-10-24-19)20(27)26(21(25)28)12-14-5-7-16(22)8-6-14/h2-11H,12-13H2,1H3
InChIKeyOFJPNACHLLIVBI-UHFFFAOYSA-N
XLogP2.20
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pteridine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pteridine-2,4-dione (CID 27372866) is 3-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pteridine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pteridine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pteridine-2,4-dione is COc1cccc(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nccnc32)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pteridine-2,4-dione?
The InChIKey is OFJPNACHLLIVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-29-17-4-2-3-15(11-17)13-25-19-18(23-9-10-24-19)20(27)26(21(25)28)12-14-5-7-16(22)8-6-14/h2-11H,12-13H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pteridine-2,4-dione?
3-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pteridine-2,4-dione has a molecular weight of 392.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pteridine-2,4-dione is sourced from PubChem (CID 27372866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).