1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one

C20H26N8O2 — CID 23607032

IUPAC1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one
SMILES[H]/N=C1/N(c2nc(N(CC)CC)nc(N3CCOCC3)n2)CC(=O)N1c1ccccc1
InChIInChI=1S/C20H26N8O2/c1-3-25(4-2)18-22-19(26-10-12-30-13-11-26)24-20(23-18)27-14-16(29)28(17(27)21)15-8-6-5-7-9-15/h5-9,21H,3-4,10-14H2,1-2H3/b21-17-
InChIKeyLJXKQYNMMLJWGS-FXBPSFAMSA-N
MW410.48 g/mol
LogP1.34
Rot. Bonds6

About 1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one

1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one (PubChem CID 23607032) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one.

Molecular Properties

Compound Name1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one
PubChem CID23607032
Molecular FormulaC20H26N8O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC Name1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one
SMILES[H]/N=C1/N(c2nc(N(CC)CC)nc(N3CCOCC3)n2)CC(=O)N1c1ccccc1
InChIInChI=1S/C20H26N8O2/c1-3-25(4-2)18-22-19(26-10-12-30-13-11-26)24-20(23-18)27-14-16(29)28(17(27)21)15-8-6-5-7-9-15/h5-9,21H,3-4,10-14H2,1-2H3/b21-17-
InChIKeyLJXKQYNMMLJWGS-FXBPSFAMSA-N
XLogP1.34
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one?
The IUPAC name of 1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one (CID 23607032) is 1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one.
What is the SMILES notation for 1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one?
The canonical SMILES for 1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one is [H]/N=C1/N(c2nc(N(CC)CC)nc(N3CCOCC3)n2)CC(=O)N1c1ccccc1.
What is the InChIKey of 1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one?
The InChIKey is LJXKQYNMMLJWGS-FXBPSFAMSA-N. The full InChI is InChI=1S/C20H26N8O2/c1-3-25(4-2)18-22-19(26-10-12-30-13-11-26)24-20(23-18)27-14-16(29)28(17(27)21)15-8-6-5-7-9-15/h5-9,21H,3-4,10-14H2,1-2H3/b21-17-.
What are the key properties of 1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one?
1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one has a molecular weight of 410.48 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one is sourced from PubChem (CID 23607032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).