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

C15H23N3O4 — CID 3762585

IUPAC1-cyclohexyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\CCO)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H23N3O4/c1-2-11(16-8-9-19)12-13(20)17-15(22)18(14(12)21)10-6-4-3-5-7-10/h10,19,21H,2-9H2,1H3,(H,17,20,22)/b16-11+
InChIKeyMRIVSXVDTSBTOJ-LFIBNONCSA-N
MW309.37 g/mol
LogP0.94
Rot. Bonds5

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

1-cyclohexyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 3762585) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-cyclohexyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID3762585
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name1-cyclohexyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\CCO)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H23N3O4/c1-2-11(16-8-9-19)12-13(20)17-15(22)18(14(12)21)10-6-4-3-5-7-10/h10,19,21H,2-9H2,1H3,(H,17,20,22)/b16-11+
InChIKeyMRIVSXVDTSBTOJ-LFIBNONCSA-N
XLogP0.94
TPSA107.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 3762585) is 1-cyclohexyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is CC/C(=N\CCO)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cyclohexyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is MRIVSXVDTSBTOJ-LFIBNONCSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-2-11(16-8-9-19)12-13(20)17-15(22)18(14(12)21)10-6-4-3-5-7-10/h10,19,21H,2-9H2,1H3,(H,17,20,22)/b16-11+.
What are the key properties of 1-cyclohexyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-cyclohexyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 309.37 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3762585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).