2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate

C16H30N6O2 — CID 59440521

IUPAC2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCN(C)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C16H30N6O2/c1-9-16(2,3)12(23)24-11-10-22(8)15-18-13(20(4)5)17-14(19-15)21(6)7/h9-11H2,1-8H3
InChIKeyPSOLMMUVAWGANE-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.42
Rot. Bonds8

About 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate

2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate (PubChem CID 59440521) has the molecular formula C16H30N6O2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate
PubChem CID59440521
Molecular FormulaC16H30N6O2
Molecular Weight338.46 g/mol
Exact Mass338.24
IUPAC Name2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCN(C)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C16H30N6O2/c1-9-16(2,3)12(23)24-11-10-22(8)15-18-13(20(4)5)17-14(19-15)21(6)7/h9-11H2,1-8H3
InChIKeyPSOLMMUVAWGANE-UHFFFAOYSA-N
XLogP1.42
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[Cyano-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl acetate
CID 3094799
2-[[4,6-Bis[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2,2-dimethylbutanoate
CID 121355115
2-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]ethyl acetate
CID 14792741

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate (CID 59440521) is 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCN(C)c1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate?
The InChIKey is PSOLMMUVAWGANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O2/c1-9-16(2,3)12(23)24-11-10-22(8)15-18-13(20(4)5)17-14(19-15)21(6)7/h9-11H2,1-8H3.
What are the key properties of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate?
2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate has a molecular weight of 338.46 g/mol, XLogP of 1.42, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 59440521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).