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

C15H16ClN3O4 — CID 3261353

IUPAC1-(4-chlorophenyl)-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\CCO)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H16ClN3O4/c1-2-11(17-7-8-20)12-13(21)18-15(23)19(14(12)22)10-5-3-9(16)4-6-10/h3-6,20,22H,2,7-8H2,1H3,(H,18,21,23)/b17-11+
InChIKeyRLXIGINNILLKRA-GZTJUZNOSA-N
MW337.76 g/mol
LogP1.08
Rot. Bonds5

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

1-(4-chlorophenyl)-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 3261353) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID3261353
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name1-(4-chlorophenyl)-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\CCO)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H16ClN3O4/c1-2-11(17-7-8-20)12-13(21)18-15(23)19(14(12)22)10-5-3-9(16)4-6-10/h3-6,20,22H,2,7-8H2,1H3,(H,18,21,23)/b17-11+
InChIKeyRLXIGINNILLKRA-GZTJUZNOSA-N
XLogP1.08
TPSA107.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 51.08
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-(4-chlorophenyl)-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 3261353) is 1-(4-chlorophenyl)-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is CC/C(=N\CCO)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is RLXIGINNILLKRA-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c1-2-11(17-7-8-20)12-13(21)18-15(23)19(14(12)22)10-5-3-9(16)4-6-10/h3-6,20,22H,2,7-8H2,1H3,(H,18,21,23)/b17-11+.
What are the key properties of 1-(4-chlorophenyl)-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-(4-chlorophenyl)-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 337.76 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3261353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).