2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide

C21H36N6O3 — CID 118936663

IUPAC2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)N(C)CCCC)nc(C(=O)N(C)CCCC)n1
InChIInChI=1S/C21H36N6O3/c1-7-10-13-25(4)19(28)16-22-17(20(29)26(5)14-11-8-2)24-18(23-16)21(30)27(6)15-12-9-3/h7-15H2,1-6H3
InChIKeyAZBREULTRMCOIM-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.49
Rot. Bonds12

About 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide

2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide (PubChem CID 118936663) has the molecular formula C21H36N6O3 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide.

Molecular Properties

Compound Name2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide
PubChem CID118936663
Molecular FormulaC21H36N6O3
Molecular Weight420.56 g/mol
Exact Mass420.28
IUPAC Name2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)N(C)CCCC)nc(C(=O)N(C)CCCC)n1
InChIInChI=1S/C21H36N6O3/c1-7-10-13-25(4)19(28)16-22-17(20(29)26(5)14-11-8-2)24-18(23-16)21(30)27(6)15-12-9-3/h7-15H2,1-6H3
InChIKeyAZBREULTRMCOIM-UHFFFAOYSA-N
XLogP2.49
TPSA99.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide with MolForge

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Related Compounds

4-(Dibutylamino)-6-methoxy-1,3,5-triazine-2-carboxamide
CID 4260974
2-[(4-amino-6-tert-butyl-1,3,5-triazin-2-yl)-methylamino]-N,N-diethylacetamide
CID 132312840
2,4,6-Tri(butylcarbamoyl)-1,3,5-triazine
CID 12040478
2-N,4-N,6-N-tris[2-[di(propan-2-yl)amino]ethyl]-1,3,5-triazine-2,4,6-tricarboxamide
CID 59345615
N-butyl-N-methyl-1,3,5-triazine-2-carboxamide
CID 118936331
N,N-dibutyl-1,3,5-triazine-2-carboxamide
CID 118936402
2-N,4-N,6-N-tripentyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 118936662
2-N,4-N,6-N-tripropyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 121298982
2-N,4-N,6-N-trioctadecyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 169083563
2-N,2-N,4-N-trioctadecyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 169793774
6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-dicarboxamide
CID 174533711
N,N-diethyl-4,6-dimethoxy-1,3,5-triazine-2-carboxamide
CID 11424977

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide?
The IUPAC name of 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide (CID 118936663) is 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide.
What is the SMILES notation for 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide?
The canonical SMILES for 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide is CCCCN(C)C(=O)c1nc(C(=O)N(C)CCCC)nc(C(=O)N(C)CCCC)n1.
What is the InChIKey of 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide?
The InChIKey is AZBREULTRMCOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O3/c1-7-10-13-25(4)19(28)16-22-17(20(29)26(5)14-11-8-2)24-18(23-16)21(30)27(6)15-12-9-3/h7-15H2,1-6H3.
What are the key properties of 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide?
2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide has a molecular weight of 420.56 g/mol, XLogP of 2.49, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tributyl-2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide is sourced from PubChem (CID 118936663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).