5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C19H25N3O4 — CID 2836550

IUPAC5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCCc1ccc(OCCC/N=C(\C)c2c(O)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C19H25N3O4/c1-5-14-7-9-15(10-8-14)26-12-6-11-20-13(2)16-17(23)21(3)19(25)22(4)18(16)24/h7-10,23H,5-6,11-12H2,1-4H3/b20-13+
InChIKeyREWGSVSRBIOEBG-DEDYPNTBSA-N
MW359.43 g/mol
LogP1.63
Rot. Bonds7

About 5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2836550) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2836550
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCCc1ccc(OCCC/N=C(\C)c2c(O)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C19H25N3O4/c1-5-14-7-9-15(10-8-14)26-12-6-11-20-13(2)16-17(23)21(3)19(25)22(4)18(16)24/h7-10,23H,5-6,11-12H2,1-4H3/b20-13+
InChIKeyREWGSVSRBIOEBG-DEDYPNTBSA-N
XLogP1.63
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 2836550) is 5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is CCc1ccc(OCCC/N=C(\C)c2c(O)n(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is REWGSVSRBIOEBG-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-5-14-7-9-15(10-8-14)26-12-6-11-20-13(2)16-17(23)21(3)19(25)22(4)18(16)24/h7-10,23H,5-6,11-12H2,1-4H3/b20-13+.
What are the key properties of 5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 359.43 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[3-(4-ethylphenoxy)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2836550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).