1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione

C19H25N3O3 — CID 3823794

IUPAC1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCCCn1c(O)c(/C(CC)=N/C(C)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25N3O3/c1-4-6-12-22-18(24)16(17(23)21-19(22)25)15(5-2)20-13(3)14-10-8-7-9-11-14/h7-11,13,24H,4-6,12H2,1-3H3,(H,21,23,25)/b20-15+
InChIKeyWXWKRHDWYTZCLT-HMMYKYKNSA-N
MW343.43 g/mol
LogP3.00
Rot. Bonds7

About 1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione

1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 3823794) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID3823794
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCCCn1c(O)c(/C(CC)=N/C(C)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25N3O3/c1-4-6-12-22-18(24)16(17(23)21-19(22)25)15(5-2)20-13(3)14-10-8-7-9-11-14/h7-11,13,24H,4-6,12H2,1-3H3,(H,21,23,25)/b20-15+
InChIKeyWXWKRHDWYTZCLT-HMMYKYKNSA-N
XLogP3.00
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-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-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 3823794) is 1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is CCCCn1c(O)c(/C(CC)=N/C(C)c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is WXWKRHDWYTZCLT-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-6-12-22-18(24)16(17(23)21-19(22)25)15(5-2)20-13(3)14-10-8-7-9-11-14/h7-11,13,24H,4-6,12H2,1-3H3,(H,21,23,25)/b20-15+.
What are the key properties of 1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 343.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3823794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).