4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine

C12H24N6 — CID 80768855

IUPAC4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NC)nc(NC(C)(C)C)n1
InChIInChI=1S/C12H24N6/c1-7-18(8-2)11-15-9(13-6)14-10(16-11)17-12(3,4)5/h7-8H2,1-6H3,(H2,13,14,15,16,17)
InChIKeySTVPDYOVVRPUEH-UHFFFAOYSA-N
MW252.37 g/mol
LogP1.97
Rot. Bonds5

About 4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine

4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80768855) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80768855
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NC)nc(NC(C)(C)C)n1
InChIInChI=1S/C12H24N6/c1-7-18(8-2)11-15-9(13-6)14-10(16-11)17-12(3,4)5/h7-8H2,1-6H3,(H2,13,14,15,16,17)
InChIKeySTVPDYOVVRPUEH-UHFFFAOYSA-N
XLogP1.97
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N,2-N-diethyl-4-N-methyl-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine
CID 80862256
4-N-(2-cyclopropylethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80847463
2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80833360
2-N,2-N-diethyl-4-N-(2-methoxyethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80766275
2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80783182
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80851247
2-N,2-N-diethyl-6-N-methyl-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80773355
4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 106332376
2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80818773
6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80871928
2-N,4-N,4-N-triethyl-6-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80836449
2-N-butan-2-yl-2-N,4-N,4-N-triethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80783122

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 80768855) is 4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(NC)nc(NC(C)(C)C)n1.
What is the InChIKey of 4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is STVPDYOVVRPUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-7-18(8-2)11-15-9(13-6)14-10(16-11)17-12(3,4)5/h7-8H2,1-6H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 252.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80768855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).