5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C15H17N3O3 — CID 1398862

IUPAC5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC/C(=N\CCc1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H17N3O3/c1-2-11(12-13(19)17-15(21)18-14(12)20)16-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H3,17,18,19,20,21)/b16-11+
InChIKeyLFKRRPGIVHJGHU-LFIBNONCSA-N
MW287.32 g/mol
LogP1.21
Rot. Bonds5

About 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 1398862) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID1398862
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC/C(=N\CCc1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H17N3O3/c1-2-11(12-13(19)17-15(21)18-14(12)20)16-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H3,17,18,19,20,21)/b16-11+
InChIKeyLFKRRPGIVHJGHU-LFIBNONCSA-N
XLogP1.21
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 1398862) is 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione is CC/C(=N\CCc1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is LFKRRPGIVHJGHU-LFIBNONCSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-11(12-13(19)17-15(21)18-14(12)20)16-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H3,17,18,19,20,21)/b16-11+.
What are the key properties of 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 287.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1398862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).