1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione

C51H78N12O18 — CID 161213190

IUPAC1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(C)c(=O)n(CCCC2CO2)c1=O.Cn1c(=O)n(C)c(=O)n(CCCCC2CO2)c1=O.Cn1c(=O)n(CCCC2CO2)c(=O)n(CCCC2CO2)c1=O.Cn1c(=O)n(CCCCC2CO2)c(=O)n(CCCCC2CO2)c1=O
InChIInChI=1S/C16H25N3O5.C14H21N3O5.C11H17N3O4.C10H15N3O4/c1-17-14(20)18(8-4-2-6-12-10-23-12)16(22)19(15(17)21)9-5-3-7-13-11-24-13;1-15-12(18)16(6-2-4-10-8-21-10)14(20)17(13(15)19)7-3-5-11-9-22-11;1-12-9(15)13(2)11(17)14(10(12)16)6-4-3-5-8-7-18-8;1-11-8(14)12(2)10(16)13(9(11)15)5-3-4-7-6-17-7/h12-13H,2-11H2,1H3;10-11H,2-9H2,1H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyUWMXTZGOOPAKLD-UHFFFAOYSA-N
MW1147.25 g/mol
LogP-3.85
Rot. Bonds27

About 1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione

1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 161213190) has the molecular formula C51H78N12O18 and a molecular weight of 1147.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID161213190
Molecular FormulaC51H78N12O18
Molecular Weight1147.25 g/mol
Exact Mass1146.56
IUPAC Name1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(C)c(=O)n(CCCC2CO2)c1=O.Cn1c(=O)n(C)c(=O)n(CCCCC2CO2)c1=O.Cn1c(=O)n(CCCC2CO2)c(=O)n(CCCC2CO2)c1=O.Cn1c(=O)n(CCCCC2CO2)c(=O)n(CCCCC2CO2)c1=O
InChIInChI=1S/C16H25N3O5.C14H21N3O5.C11H17N3O4.C10H15N3O4/c1-17-14(20)18(8-4-2-6-12-10-23-12)16(22)19(15(17)21)9-5-3-7-13-11-24-13;1-15-12(18)16(6-2-4-10-8-21-10)14(20)17(13(15)19)7-3-5-11-9-22-11;1-12-9(15)13(2)11(17)14(10(12)16)6-4-3-5-8-7-18-8;1-11-8(14)12(2)10(16)13(9(11)15)5-3-4-7-6-17-7/h12-13H,2-11H2,1H3;10-11H,2-9H2,1H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyUWMXTZGOOPAKLD-UHFFFAOYSA-N
XLogP-3.85
TPSA339.18 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.25
LogP ≤ 5-3.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione with MolForge

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Related Compounds

1-(oxiran-2-ylmethyl)-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 171460051
3,7-dimethyl-1-[9-(oxiran-2-yl)nonyl]purine-2,6-dione
CID 15885496
3,7-dimethyl-1-[16-(oxiran-2-yl)hexadecyl]purine-2,6-dione
CID 19098209
3,7-dimethyl-1-[3-(oxiran-2-yl)propyl]purine-2,6-dione
CID 54391228
1-hexyl-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 172864301
1,3-dihexyl-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 138624753
3-methyl-1-[9-(oxiran-2-yl)nonyl]-7H-purine-2,6-dione
CID 15486843
1,3-dihexyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 140791594
1-(4-methylheptyl)-2,4-bis[3-(oxiran-2-yl)propyl]-1,2,4-triazolidine-3,5-dione
CID 118351675
1,3-bis(5-bromopentyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 15472270
1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 12062943
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione (CID 161213190) is 1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione is Cn1c(=O)n(C)c(=O)n(CCCC2CO2)c1=O.Cn1c(=O)n(C)c(=O)n(CCCCC2CO2)c1=O.Cn1c(=O)n(CCCC2CO2)c(=O)n(CCCC2CO2)c1=O.Cn1c(=O)n(CCCCC2CO2)c(=O)n(CCCCC2CO2)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is UWMXTZGOOPAKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5.C14H21N3O5.C11H17N3O4.C10H15N3O4/c1-17-14(20)18(8-4-2-6-12-10-23-12)16(22)19(15(17)21)9-5-3-7-13-11-24-13;1-15-12(18)16(6-2-4-10-8-21-10)14(20)17(13(15)19)7-3-5-11-9-22-11;1-12-9(15)13(2)11(17)14(10(12)16)6-4-3-5-8-7-18-8;1-11-8(14)12(2)10(16)13(9(11)15)5-3-4-7-6-17-7/h12-13H,2-11H2,1H3;10-11H,2-9H2,1H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 1147.25 g/mol, XLogP of -3.85, 27 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1,3-dimethyl-5-[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[4-(oxiran-2-yl)butyl]-1,3,5-triazinane-2,4,6-trione;1-methyl-3,5-bis[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 161213190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).