1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione

C17H20N4O4 — CID 135469742

IUPAC1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/N3CCOCC3)c(=O)[nH]c2=O)cc1C
InChIInChI=1S/C17H20N4O4/c1-11-3-4-13(9-12(11)2)21-16(23)14(15(22)19-17(21)24)10-18-20-5-7-25-8-6-20/h3-4,9-10,23H,5-8H2,1-2H3,(H,19,22,24)/b18-10+
InChIKeyJRAUYHQIUGAYEH-VCHYOVAHSA-N
MW344.37 g/mol
LogP0.51
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione

1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione (PubChem CID 135469742) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione
PubChem CID135469742
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/N3CCOCC3)c(=O)[nH]c2=O)cc1C
InChIInChI=1S/C17H20N4O4/c1-11-3-4-13(9-12(11)2)21-16(23)14(15(22)19-17(21)24)10-18-20-5-7-25-8-6-20/h3-4,9-10,23H,5-8H2,1-2H3,(H,19,22,24)/b18-10+
InChIKeyJRAUYHQIUGAYEH-VCHYOVAHSA-N
XLogP0.51
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.51
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-(3,4-dimethylphenyl)-6-hydroxy-5-[[(2S)-oxolan-2-yl]methyliminomethyl]pyrimidine-2,4-dione
CID 938580
1-(3,4-dimethylphenyl)-6-hydroxy-5-(oxolan-2-ylmethyliminomethyl)pyrimidine-2,4-dione
CID 3755710
6-hydroxy-1-(4-iodophenyl)-5-[(4-methylpiperazin-1-yl)iminomethyl]pyrimidine-2,4-dione
CID 1396805
5-[(E)-azepan-1-yliminomethyl]-6-hydroxy-1-(4-iodophenyl)pyrimidine-2,4-dione
CID 135469769
1-(3-chlorophenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 135485069
1-(4-fluorophenyl)-6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]pyrimidine-2,4-dione
CID 135420673
1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 135485078
[(E)-[1-(3,4-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea
CID 135822374
6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione
CID 135420689
5-[(2-aminophenyl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 1414869
5-[3-(diethylamino)propyliminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 3258723
(E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine
CID 42992288

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione (CID 135469742) is 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione is Cc1ccc(-n2c(O)c(/C=N/N3CCOCC3)c(=O)[nH]c2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione?
The InChIKey is JRAUYHQIUGAYEH-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-11-3-4-13(9-12(11)2)21-16(23)14(15(22)19-17(21)24)10-18-20-5-7-25-8-6-20/h3-4,9-10,23H,5-8H2,1-2H3,(H,19,22,24)/b18-10+.
What are the key properties of 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione?
1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135469742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).