1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione

C17H20N4O4 — CID 936497

IUPAC1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione
SMILESCC(=NN1CCOCC1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H20N4O4/c1-12(19-20-7-9-25-10-8-20)14-15(22)18-17(24)21(16(14)23)11-13-5-3-2-4-6-13/h2-6,23H,7-11H2,1H3,(H,18,22,24)
InChIKeyLIWZLIGJSAZNCQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.35
Rot. Bonds4

About 1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione

1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione (PubChem CID 936497) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione
PubChem CID936497
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione
SMILESCC(=NN1CCOCC1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H20N4O4/c1-12(19-20-7-9-25-10-8-20)14-15(22)18-17(24)21(16(14)23)11-13-5-3-2-4-6-13/h2-6,23H,7-11H2,1H3,(H,18,22,24)
InChIKeyLIWZLIGJSAZNCQ-UHFFFAOYSA-N
XLogP0.35
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
CID 1400115
1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
CID 747588
1-benzyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 3812444
1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione
CID 135398901
1-benzyl-6-hydroxy-5-[C-methyl-N-[[(2S)-oxolan-2-yl]methyl]carbonimidoyl]pyrimidine-2,4-dione
CID 937936
6-hydroxy-1-(4-methoxyphenyl)-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione
CID 3627738
1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide
CID 122606857
3-benzyl-5-[C-methyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-2,6-dioxopyrimidin-4-olate
CID 4919333
1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
CID 66522623
N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
CID 3540557
1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 135685287
1-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]-3-phenylthiourea
CID 3696348

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione (CID 936497) is 1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione is CC(=NN1CCOCC1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione?
The InChIKey is LIWZLIGJSAZNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-12(19-20-7-9-25-10-8-20)14-15(22)18-17(24)21(16(14)23)11-13-5-3-2-4-6-13/h2-6,23H,7-11H2,1H3,(H,18,22,24).
What are the key properties of 1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione?
1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione is sourced from PubChem (CID 936497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).