6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione

C15H13FN4O3 — CID 3049072

IUPAC6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione
SMILESCc1nc2c(c(=O)n1-c1ccccc1F)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H13FN4O3/c1-8-17-12-11(13(21)19(3)15(23)18(12)2)14(22)20(8)10-7-5-4-6-9(10)16/h4-7H,1-3H3
InChIKeyGFAPAWSXLIQKML-UHFFFAOYSA-N
MW316.29 g/mol
LogP0.23
Rot. Bonds1

About 6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione

6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione (PubChem CID 3049072) has the molecular formula C15H13FN4O3 and a molecular weight of 316.29 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione.

Molecular Properties

Compound Name6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione
PubChem CID3049072
Molecular FormulaC15H13FN4O3
Molecular Weight316.29 g/mol
Exact Mass316.10
IUPAC Name6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione
SMILESCc1nc2c(c(=O)n1-c1ccccc1F)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H13FN4O3/c1-8-17-12-11(13(21)19(3)15(23)18(12)2)14(22)20(8)10-7-5-4-6-9(10)16/h4-7H,1-3H3
InChIKeyGFAPAWSXLIQKML-UHFFFAOYSA-N
XLogP0.23
TPSA78.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione?
The IUPAC name of 6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione (CID 3049072) is 6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione.
What is the SMILES notation for 6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione?
The canonical SMILES for 6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione is Cc1nc2c(c(=O)n1-c1ccccc1F)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione?
The InChIKey is GFAPAWSXLIQKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3/c1-8-17-12-11(13(21)19(3)15(23)18(12)2)14(22)20(8)10-7-5-4-6-9(10)16/h4-7H,1-3H3.
What are the key properties of 6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione?
6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione has a molecular weight of 316.29 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione is sourced from PubChem (CID 3049072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).