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

C18H19N5O3 — CID 3816397

IUPAC6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/CCCn3ccnc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H19N5O3/c1-13-3-5-14(6-4-13)23-17(25)15(16(24)21-18(23)26)11-19-7-2-9-22-10-8-20-12-22/h3-6,8,10-12,25H,2,7,9H2,1H3,(H,21,24,26)/b19-11+
InChIKeyACZSDVSYARJCJF-YBFXNURJSA-N
MW353.38 g/mol
LogP1.25
Rot. Bonds6

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

6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione (PubChem CID 3816397) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione
PubChem CID3816397
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/CCCn3ccnc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H19N5O3/c1-13-3-5-14(6-4-13)23-17(25)15(16(24)21-18(23)26)11-19-7-2-9-22-10-8-20-12-22/h3-6,8,10-12,25H,2,7,9H2,1H3,(H,21,24,26)/b19-11+
InChIKeyACZSDVSYARJCJF-YBFXNURJSA-N
XLogP1.25
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione (CID 3816397) is 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione is Cc1ccc(-n2c(O)c(/C=N/CCCn3ccnc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is ACZSDVSYARJCJF-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-13-3-5-14(6-4-13)23-17(25)15(16(24)21-18(23)26)11-19-7-2-9-22-10-8-20-12-22/h3-6,8,10-12,25H,2,7,9H2,1H3,(H,21,24,26)/b19-11+.
What are the key properties of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione?
6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 353.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3816397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).