1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one

C20H24N8O3 — CID 23607031

IUPAC1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one
SMILES[H]/N=C1/N(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC(=O)N1c1ccccc1
InChIInChI=1S/C20H24N8O3/c21-17-27(14-16(29)28(17)15-4-2-1-3-5-15)20-23-18(25-6-10-30-11-7-25)22-19(24-20)26-8-12-31-13-9-26/h1-5,21H,6-14H2/b21-17-
InChIKeyYOSDIQTUEOZQBL-FXBPSFAMSA-N
MW424.47 g/mol
LogP0.33
Rot. Bonds4

About 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one

1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one (PubChem CID 23607031) has the molecular formula C20H24N8O3 and a molecular weight of 424.47 g/mol. Its IUPAC name is 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one.

Molecular Properties

Compound Name1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one
PubChem CID23607031
Molecular FormulaC20H24N8O3
Molecular Weight424.47 g/mol
Exact Mass424.20
IUPAC Name1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one
SMILES[H]/N=C1/N(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC(=O)N1c1ccccc1
InChIInChI=1S/C20H24N8O3/c21-17-27(14-16(29)28(17)15-4-2-1-3-5-15)20-23-18(25-6-10-30-11-7-25)22-19(24-20)26-8-12-31-13-9-26/h1-5,21H,6-14H2/b21-17-
InChIKeyYOSDIQTUEOZQBL-FXBPSFAMSA-N
XLogP0.33
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one?
The IUPAC name of 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one (CID 23607031) is 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one.
What is the SMILES notation for 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one?
The canonical SMILES for 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one is [H]/N=C1/N(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC(=O)N1c1ccccc1.
What is the InChIKey of 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one?
The InChIKey is YOSDIQTUEOZQBL-FXBPSFAMSA-N. The full InChI is InChI=1S/C20H24N8O3/c21-17-27(14-16(29)28(17)15-4-2-1-3-5-15)20-23-18(25-6-10-30-11-7-25)22-19(24-20)26-8-12-31-13-9-26/h1-5,21H,6-14H2/b21-17-.
What are the key properties of 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one?
1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one has a molecular weight of 424.47 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-imino-3-phenylimidazolidin-4-one is sourced from PubChem (CID 23607031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).