6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione

C14H11FN4O2 — CID 8990468

IUPAC6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione
SMILESCn1cc(-c2cccc(F)c2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C14H11FN4O2/c1-18-7-10(8-4-3-5-9(15)6-8)16-11-12(18)17-14(21)19(2)13(11)20/h3-7H,1-2H3
InChIKeyQIZZGONYHHKZKJ-UHFFFAOYSA-N
MW286.27 g/mol
LogP0.78
Rot. Bonds1

About 6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione

6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione (PubChem CID 8990468) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione
PubChem CID8990468
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione
SMILESCn1cc(-c2cccc(F)c2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C14H11FN4O2/c1-18-7-10(8-4-3-5-9(15)6-8)16-11-12(18)17-14(21)19(2)13(11)20/h3-7H,1-2H3
InChIKeyQIZZGONYHHKZKJ-UHFFFAOYSA-N
XLogP0.78
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione?
The IUPAC name of 6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione (CID 8990468) is 6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione.
What is the SMILES notation for 6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione?
The canonical SMILES for 6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione is Cn1cc(-c2cccc(F)c2)nc2c(=O)n(C)c(=O)nc1-2.
What is the InChIKey of 6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione?
The InChIKey is QIZZGONYHHKZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c1-18-7-10(8-4-3-5-9(15)6-8)16-11-12(18)17-14(21)19(2)13(11)20/h3-7H,1-2H3.
What are the key properties of 6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione?
6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione has a molecular weight of 286.27 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione is sourced from PubChem (CID 8990468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).