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

C19H24N4O4 — CID 3721474

IUPAC6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESC/C(=N\CCN1CCOCC1)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O4/c1-13-5-3-4-6-15(13)23-18(25)16(17(24)21-19(23)26)14(2)20-7-8-22-9-11-27-12-10-22/h3-6,25H,7-12H2,1-2H3,(H,21,24,26)/b20-14+
InChIKeyRJJZPFFZLIOAFE-XSFVSMFZSA-N
MW372.43 g/mol
LogP0.68
Rot. Bonds5

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

6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-(2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 3721474) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-(2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
PubChem CID3721474
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESC/C(=N\CCN1CCOCC1)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O4/c1-13-5-3-4-6-15(13)23-18(25)16(17(24)21-19(23)26)14(2)20-7-8-22-9-11-27-12-10-22/h3-6,25H,7-12H2,1-2H3,(H,21,24,26)/b20-14+
InChIKeyRJJZPFFZLIOAFE-XSFVSMFZSA-N
XLogP0.68
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.68
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 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-(2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-(2-methylphenyl)pyrimidine-2,4-dione (CID 3721474) is 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-(2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-(2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-(2-methylphenyl)pyrimidine-2,4-dione is C/C(=N\CCN1CCOCC1)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-(2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is RJJZPFFZLIOAFE-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-13-5-3-4-6-15(13)23-18(25)16(17(24)21-19(23)26)14(2)20-7-8-22-9-11-27-12-10-22/h3-6,25H,7-12H2,1-2H3,(H,21,24,26)/b20-14+.
What are the key properties of 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-(2-methylphenyl)pyrimidine-2,4-dione?
6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-(2-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 372.43 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-(2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3721474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).