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

C24H23FN4O5 — CID 54678896

IUPAC2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
SMILESO=C1c2c(O)c(=O)n(-c3ccc(N4CCOCC4)cc3)c(=O)n2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C24H23FN4O5/c25-17-3-1-16(2-4-17)15-27-9-10-28-20(22(27)31)21(30)23(32)29(24(28)33)19-7-5-18(6-8-19)26-11-13-34-14-12-26/h1-8,30H,9-15H2
InChIKeyBNHXJLVVMKZOBA-UHFFFAOYSA-N
MW466.47 g/mol
LogP1.34
Rot. Bonds4

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

2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione (PubChem CID 54678896) has the molecular formula C24H23FN4O5 and a molecular weight of 466.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
PubChem CID54678896
Molecular FormulaC24H23FN4O5
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
SMILESO=C1c2c(O)c(=O)n(-c3ccc(N4CCOCC4)cc3)c(=O)n2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C24H23FN4O5/c25-17-3-1-16(2-4-17)15-27-9-10-28-20(22(27)31)21(30)23(32)29(24(28)33)19-7-5-18(6-8-19)26-11-13-34-14-12-26/h1-8,30H,9-15H2
InChIKeyBNHXJLVVMKZOBA-UHFFFAOYSA-N
XLogP1.34
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione (CID 54678896) is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione is O=C1c2c(O)c(=O)n(-c3ccc(N4CCOCC4)cc3)c(=O)n2CCN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
The InChIKey is BNHXJLVVMKZOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O5/c25-17-3-1-16(2-4-17)15-27-9-10-28-20(22(27)31)21(30)23(32)29(24(28)33)19-7-5-18(6-8-19)26-11-13-34-14-12-26/h1-8,30H,9-15H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione has a molecular weight of 466.47 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione is sourced from PubChem (CID 54678896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).