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

C20H26N4O4 — CID 3798836

IUPAC5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCC/C(=N\CCN1CCOCC1)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C20H26N4O4/c1-3-15(21-8-9-23-10-12-28-13-11-23)17-18(25)22-20(27)24(19(17)26)16-7-5-4-6-14(16)2/h4-7,26H,3,8-13H2,1-2H3,(H,22,25,27)/b21-15+
InChIKeyOPMVITVJGNHWOW-RCCKNPSSSA-N
MW386.45 g/mol
LogP1.07
Rot. Bonds6

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

5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 3798836) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
PubChem CID3798836
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCC/C(=N\CCN1CCOCC1)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C20H26N4O4/c1-3-15(21-8-9-23-10-12-28-13-11-23)17-18(25)22-20(27)24(19(17)26)16-7-5-4-6-14(16)2/h4-7,26H,3,8-13H2,1-2H3,(H,22,25,27)/b21-15+
InChIKeyOPMVITVJGNHWOW-RCCKNPSSSA-N
XLogP1.07
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione (CID 3798836) is 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione is CC/C(=N\CCN1CCOCC1)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O.
What is the InChIKey of 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is OPMVITVJGNHWOW-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-3-15(21-8-9-23-10-12-28-13-11-23)17-18(25)22-20(27)24(19(17)26)16-7-5-4-6-14(16)2/h4-7,26H,3,8-13H2,1-2H3,(H,22,25,27)/b21-15+.
What are the key properties of 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 386.45 g/mol, XLogP of 1.07, 6 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-(2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3798836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).