2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione

C15H14FN3O4 — CID 54692274

IUPAC2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
SMILESCn1c(=O)c(O)c2n(c1=O)CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C15H14FN3O4/c1-17-14(22)12(20)11-13(21)18(6-7-19(11)15(17)23)8-9-2-4-10(16)5-3-9/h2-5,20H,6-8H2,1H3
InChIKeyBDKZDZDKYLWCDA-UHFFFAOYSA-N
MW319.29 g/mol
LogP0.05
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione

2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione (PubChem CID 54692274) has the molecular formula C15H14FN3O4 and a molecular weight of 319.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
PubChem CID54692274
Molecular FormulaC15H14FN3O4
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
SMILESCn1c(=O)c(O)c2n(c1=O)CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C15H14FN3O4/c1-17-14(22)12(20)11-13(21)18(6-7-19(11)15(17)23)8-9-2-4-10(16)5-3-9/h2-5,20H,6-8H2,1H3
InChIKeyBDKZDZDKYLWCDA-UHFFFAOYSA-N
XLogP0.05
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione (CID 54692274) is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione is Cn1c(=O)c(O)c2n(c1=O)CCN(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
The InChIKey is BDKZDZDKYLWCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4/c1-17-14(22)12(20)11-13(21)18(6-7-19(11)15(17)23)8-9-2-4-10(16)5-3-9/h2-5,20H,6-8H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione has a molecular weight of 319.29 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione is sourced from PubChem (CID 54692274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).