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

C19H21FN4O5 — CID 54692286

IUPAC2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
SMILESO=C1c2c(O)c(=O)n(CC3COCCN3)c(=O)n2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O5/c20-13-3-1-12(2-4-13)9-22-6-7-23-15(17(22)26)16(25)18(27)24(19(23)28)10-14-11-29-8-5-21-14/h1-4,14,21,25H,5-11H2
InChIKeyMPONJISJZZIVBN-UHFFFAOYSA-N
MW404.40 g/mol
LogP-0.50
Rot. Bonds4

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

2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione (PubChem CID 54692286) has the molecular formula C19H21FN4O5 and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
PubChem CID54692286
Molecular FormulaC19H21FN4O5
Molecular Weight404.40 g/mol
Exact Mass404.15
IUPAC Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
SMILESO=C1c2c(O)c(=O)n(CC3COCCN3)c(=O)n2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O5/c20-13-3-1-12(2-4-13)9-22-6-7-23-15(17(22)26)16(25)18(27)24(19(23)28)10-14-11-29-8-5-21-14/h1-4,14,21,25H,5-11H2
InChIKeyMPONJISJZZIVBN-UHFFFAOYSA-N
XLogP-0.50
TPSA105.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677504
N-[(4-fluorophenyl)methyl]-3-hydroxy-9-morpholino-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682263
Dihydroxypyrimidine carboxamide, 3
CID 135446231
2-[(R)-3-(2-Morpholin-4-yl-ethyl)-2,4,8-trioxo-6-phenyl-2,3,4,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10793294
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholino-2-oxo-ethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54684193
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholinoethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686312
N-(4-fluorobenzyl)-3-hydroxy-7,9-dimorpholino-4-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54729432
N-[(4-fluorophenyl)methyl]-11-hydroxy-4-(2-methoxyethyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 66594357
N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-morpholinoethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 68676844
2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(1-phenylethyl)acetamide
CID 4221772
2-[(R)-3-(2-Ethoxy-ethyl)-2,4,8-trioxo-6-phenyl-2,3,4,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10816188
2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide
CID 3907921

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione (CID 54692286) is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione is O=C1c2c(O)c(=O)n(CC3COCCN3)c(=O)n2CCN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
The InChIKey is MPONJISJZZIVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O5/c20-13-3-1-12(2-4-13)9-22-6-7-23-15(17(22)26)16(25)18(27)24(19(23)28)10-14-11-29-8-5-21-14/h1-4,14,21,25H,5-11H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione has a molecular weight of 404.40 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione is sourced from PubChem (CID 54692286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).