1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione

C16H17ClN4O4 — CID 135398901

IUPAC1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\N1CCOCC1)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H17ClN4O4/c1-10(19-20-6-8-25-9-7-20)13-14(22)18-16(24)21(15(13)23)12-4-2-11(17)3-5-12/h2-5,23H,6-9H2,1H3,(H,18,22,24)/b19-10+
InChIKeySRMVAIZNZNPQLA-VXLYETTFSA-N
MW364.79 g/mol
LogP0.94
Rot. Bonds3

About 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione

1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione (PubChem CID 135398901) has the molecular formula C16H17ClN4O4 and a molecular weight of 364.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione
PubChem CID135398901
Molecular FormulaC16H17ClN4O4
Molecular Weight364.79 g/mol
Exact Mass364.09
IUPAC Name1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\N1CCOCC1)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H17ClN4O4/c1-10(19-20-6-8-25-9-7-20)13-14(22)18-16(24)21(15(13)23)12-4-2-11(17)3-5-12/h2-5,23H,6-9H2,1H3,(H,18,22,24)/b19-10+
InChIKeySRMVAIZNZNPQLA-VXLYETTFSA-N
XLogP0.94
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 50.94
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

6-hydroxy-1-(4-methoxyphenyl)-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione
CID 3627738
1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione
CID 936497
6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione
CID 135822372
1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(1-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione
CID 3729777
5-[N-[2-(4-acetylpiperazin-1-yl)ethyl]-C-methylcarbonimidoyl]-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 3782276
1-(4-chlorophenyl)-5-[C-ethyl-N-[[(2S)-oxolan-2-yl]methyl]carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 136689624
1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598250
5-[N-(azepan-1-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3345557
6-hydroxy-5-[C-methyl-N-[[(2S)-oxolan-2-yl]methyl]carbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 933886
1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione
CID 135469742
1-(4-chlorophenyl)-5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 3812265
[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea
CID 5189325

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione (CID 135398901) is 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione is C/C(=N\N1CCOCC1)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione?
The InChIKey is SRMVAIZNZNPQLA-VXLYETTFSA-N. The full InChI is InChI=1S/C16H17ClN4O4/c1-10(19-20-6-8-25-9-7-20)13-14(22)18-16(24)21(15(13)23)12-4-2-11(17)3-5-12/h2-5,23H,6-9H2,1H3,(H,18,22,24)/b19-10+.
What are the key properties of 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione?
1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione has a molecular weight of 364.79 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135398901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).