6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione

C15H19N5O3 — CID 3788102

IUPAC6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C(C)=N/CCCn2ccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H19N5O3/c1-3-7-20-14(22)12(13(21)18-15(20)23)11(2)17-5-4-8-19-9-6-16-10-19/h3,6,9-10,22H,1,4-5,7-8H2,2H3,(H,18,21,23)/b17-11+
InChIKeyPIZDXWNMAHWJQG-GZTJUZNOSA-N
MW317.35 g/mol
LogP0.52
Rot. Bonds7

About 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione

6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 3788102) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID3788102
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C(C)=N/CCCn2ccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H19N5O3/c1-3-7-20-14(22)12(13(21)18-15(20)23)11(2)17-5-4-8-19-9-6-16-10-19/h3,6,9-10,22H,1,4-5,7-8H2,2H3,(H,18,21,23)/b17-11+
InChIKeyPIZDXWNMAHWJQG-GZTJUZNOSA-N
XLogP0.52
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.52
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-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 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione (CID 3788102) is 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(O)c(/C(C)=N/CCCn2ccnc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is PIZDXWNMAHWJQG-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-3-7-20-14(22)12(13(21)18-15(20)23)11(2)17-5-4-8-19-9-6-16-10-19/h3,6,9-10,22H,1,4-5,7-8H2,2H3,(H,18,21,23)/b17-11+.
What are the key properties of 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione?
6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 317.35 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 3788102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).