1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione

C18H36N6O6 — CID 4278551

IUPAC1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
SMILESCN(C)CC(O)Cn1c(=O)n(CC(O)CN(C)C)c(=O)n(CC(O)CN(C)C)c1=O
InChIInChI=1S/C18H36N6O6/c1-19(2)7-13(25)10-22-16(28)23(11-14(26)8-20(3)4)18(30)24(17(22)29)12-15(27)9-21(5)6/h13-15,25-27H,7-12H2,1-6H3
InChIKeyJAGGVSDPBPJWBJ-UHFFFAOYSA-N
MW432.52 g/mol
LogP-4.06
Rot. Bonds12

About 1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 4278551) has the molecular formula C18H36N6O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID4278551
Molecular FormulaC18H36N6O6
Molecular Weight432.52 g/mol
Exact Mass432.27
IUPAC Name1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
SMILESCN(C)CC(O)Cn1c(=O)n(CC(O)CN(C)C)c(=O)n(CC(O)CN(C)C)c1=O
InChIInChI=1S/C18H36N6O6/c1-19(2)7-13(25)10-22-16(28)23(11-14(26)8-20(3)4)18(30)24(17(22)29)12-15(27)9-21(5)6/h13-15,25-27H,7-12H2,1-6H3
InChIKeyJAGGVSDPBPJWBJ-UHFFFAOYSA-N
XLogP-4.06
TPSA136.41 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 5-4.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Related Compounds

Tris[3-(diethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
CID 4110217
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxypropyl)-
CID 11120211
1,3-Bis(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
CID 20255443
1,3,5-Tris(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione
CID 20399571
1-[3-(Diethylamino)-2-hydroxypropyl]-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 20495785
1-(3-Hydroxybutan-2-yl)-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 21394004
5-Hydroxy-1,3-bis(methoxymethyl)tetrahydropyrimidin-2(1H)-one
CID 22961548
1,3-Bis(2-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 53679178
1-(Hydroxymethyl)-3,5-bis(2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
CID 53785353
1,3-Bis(2-hydroxyethyl)-5-propyl-1,3,5-triazinane-2,4,6-trione
CID 57598328
1,3,5-Tris[3-[bis(2-aminoethyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
CID 58991202
1,3,5-Tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
CID 59029940

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione (CID 4278551) is 1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione is CN(C)CC(O)Cn1c(=O)n(CC(O)CN(C)C)c(=O)n(CC(O)CN(C)C)c1=O.
What is the InChIKey of 1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is JAGGVSDPBPJWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6O6/c1-19(2)7-13(25)10-22-16(28)23(11-14(26)8-20(3)4)18(30)24(17(22)29)12-15(27)9-21(5)6/h13-15,25-27H,7-12H2,1-6H3.
What are the key properties of 1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 432.52 g/mol, XLogP of -4.06, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[3-(dimethylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 4278551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).