5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione

C16H24N4O4 — CID 934805

IUPAC5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C(CC)=N/CCN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H24N4O4/c1-3-6-20-15(22)13(14(21)18-16(20)23)12(4-2)17-5-7-19-8-10-24-11-9-19/h3,22H,1,4-11H2,2H3,(H,18,21,23)/b17-12+
InChIKeyKBCSSEAQUJSVMJ-SFQUDFHCSA-N
MW336.39 g/mol
LogP-0.04
Rot. Bonds7

About 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione

5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 934805) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID934805
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C(CC)=N/CCN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H24N4O4/c1-3-6-20-15(22)13(14(21)18-16(20)23)12(4-2)17-5-7-19-8-10-24-11-9-19/h3,22H,1,4-11H2,2H3,(H,18,21,23)/b17-12+
InChIKeyKBCSSEAQUJSVMJ-SFQUDFHCSA-N
XLogP-0.04
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-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 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione (CID 934805) is 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(O)c(/C(CC)=N/CCN2CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is KBCSSEAQUJSVMJ-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-3-6-20-15(22)13(14(21)18-16(20)23)12(4-2)17-5-7-19-8-10-24-11-9-19/h3,22H,1,4-11H2,2H3,(H,18,21,23)/b17-12+.
What are the key properties of 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 336.39 g/mol, XLogP of -0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 934805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).