2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine

C11H22N6O — CID 80770464

IUPAC2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCCN(C)C)nc(OCC)n1
InChIInChI=1S/C11H22N6O/c1-5-12-9-14-10(13-7-8-17(3)4)16-11(15-9)18-6-2/h5-8H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyDJJLLHZZTWKBJN-UHFFFAOYSA-N
MW254.34 g/mol
LogP0.68
Rot. Bonds8

About 2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine

2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80770464) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID80770464
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCCN(C)C)nc(OCC)n1
InChIInChI=1S/C11H22N6O/c1-5-12-9-14-10(13-7-8-17(3)4)16-11(15-9)18-6-2/h5-8H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyDJJLLHZZTWKBJN-UHFFFAOYSA-N
XLogP0.68
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 80770464) is 2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(NCCN(C)C)nc(OCC)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DJJLLHZZTWKBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-5-12-9-14-10(13-7-8-17(3)4)16-11(15-9)18-6-2/h5-8H2,1-4H3,(H2,12,13,14,15,16).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 254.34 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80770464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).