1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione

C18H32N6O5 — CID 15309365

IUPAC1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
SMILESO=C1N(CN2CCOCC2)CN(CN2CCOCC2)C(=O)N1CN1CCOCC1
InChIInChI=1S/C18H32N6O5/c25-17-22(13-19-1-7-27-8-2-19)16-23(14-20-3-9-28-10-4-20)18(26)24(17)15-21-5-11-29-12-6-21/h1-16H2
InChIKeyUKOLTZPKXULBFX-UHFFFAOYSA-N
MW412.49 g/mol
LogP-1.03
Rot. Bonds6

About 1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione

1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione (PubChem CID 15309365) has the molecular formula C18H32N6O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
PubChem CID15309365
Molecular FormulaC18H32N6O5
Molecular Weight412.49 g/mol
Exact Mass412.24
IUPAC Name1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
SMILESO=C1N(CN2CCOCC2)CN(CN2CCOCC2)C(=O)N1CN1CCOCC1
InChIInChI=1S/C18H32N6O5/c25-17-22(13-19-1-7-27-8-2-19)16-23(14-20-3-9-28-10-4-20)18(26)24(17)15-21-5-11-29-12-6-21/h1-16H2
InChIKeyUKOLTZPKXULBFX-UHFFFAOYSA-N
XLogP-1.03
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione (CID 15309365) is 1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione is O=C1N(CN2CCOCC2)CN(CN2CCOCC2)C(=O)N1CN1CCOCC1.
What is the InChIKey of 1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
The InChIKey is UKOLTZPKXULBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O5/c25-17-22(13-19-1-7-27-8-2-19)16-23(14-20-3-9-28-10-4-20)18(26)24(17)15-21-5-11-29-12-6-21/h1-16H2.
What are the key properties of 1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione?
1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione has a molecular weight of 412.49 g/mol, XLogP of -1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 15309365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).