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

C15H21N5O3 — CID 5129107

IUPAC1-butyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione
SMILESCCCCn1c(O)c(/C=N/CCCn2ccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H21N5O3/c1-2-3-8-20-14(22)12(13(21)18-15(20)23)10-16-5-4-7-19-9-6-17-11-19/h6,9-11,22H,2-5,7-8H2,1H3,(H,18,21,23)/b16-10+
InChIKeyZNKOTRFZMORXPO-MHWRWJLKSA-N
MW319.36 g/mol
LogP0.75
Rot. Bonds8

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

1-butyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione (PubChem CID 5129107) has the molecular formula C15H21N5O3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-butyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione
PubChem CID5129107
Molecular FormulaC15H21N5O3
Molecular Weight319.36 g/mol
Exact Mass319.16
IUPAC Name1-butyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione
SMILESCCCCn1c(O)c(/C=N/CCCn2ccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H21N5O3/c1-2-3-8-20-14(22)12(13(21)18-15(20)23)10-16-5-4-7-19-9-6-17-11-19/h6,9-11,22H,2-5,7-8H2,1H3,(H,18,21,23)/b16-10+
InChIKeyZNKOTRFZMORXPO-MHWRWJLKSA-N
XLogP0.75
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.75
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'}

Analyze 1-butyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-butyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione (CID 5129107) is 1-butyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione is CCCCn1c(O)c(/C=N/CCCn2ccnc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione?
The InChIKey is ZNKOTRFZMORXPO-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-2-3-8-20-14(22)12(13(21)18-15(20)23)10-16-5-4-7-19-9-6-17-11-19/h6,9-11,22H,2-5,7-8H2,1H3,(H,18,21,23)/b16-10+.
What are the key properties of 1-butyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione?
1-butyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione has a molecular weight of 319.36 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 5129107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).