6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione

C18H19N5O4 — CID 3262107

IUPAC6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccccc1-n1c(O)c(/C=N/CCCn2ccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H19N5O4/c1-27-15-6-3-2-5-14(15)23-17(25)13(16(24)21-18(23)26)11-19-7-4-9-22-10-8-20-12-22/h2-3,5-6,8,10-12,25H,4,7,9H2,1H3,(H,21,24,26)/b19-11+
InChIKeyGJZFZJKKKFEXQH-YBFXNURJSA-N
MW369.38 g/mol
LogP0.95
Rot. Bonds7

About 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione

6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 3262107) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID3262107
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccccc1-n1c(O)c(/C=N/CCCn2ccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H19N5O4/c1-27-15-6-3-2-5-14(15)23-17(25)13(16(24)21-18(23)26)11-19-7-4-9-22-10-8-20-12-22/h2-3,5-6,8,10-12,25H,4,7,9H2,1H3,(H,21,24,26)/b19-11+
InChIKeyGJZFZJKKKFEXQH-YBFXNURJSA-N
XLogP0.95
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione
CID 3377859
6-hydroxy-5-(3-hydroxypropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 2185365
5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 3439445
1-(2-chlorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-2-sulfanylidenepyrimidin-4-one
CID 3785199
6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-phenyl-2-sulfanylidenepyrimidin-4-one
CID 3620739
1-[2-(4-fluorophenyl)ethyl]-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione
CID 3835002
6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 1377896
5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 3827908
6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione
CID 137073220
6-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 135630159
6-hydroxy-1-(2-methoxyphenyl)-5-[[6-(4-methylpiperazin-1-yl)-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]pyrimidine-2,4-dione
CID 137073238
5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 137074553

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione (CID 3262107) is 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione is COc1ccccc1-n1c(O)c(/C=N/CCCn2ccnc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is GJZFZJKKKFEXQH-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-27-15-6-3-2-5-14(15)23-17(25)13(16(24)21-18(23)26)11-19-7-4-9-22-10-8-20-12-22/h2-3,5-6,8,10-12,25H,4,7,9H2,1H3,(H,21,24,26)/b19-11+.
What are the key properties of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione?
6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 369.38 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3262107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).