2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine

C12H22N6O — CID 80788943

IUPAC2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NC2CCOCC2)n1
InChIInChI=1S/C12H22N6O/c1-3-18(4-2)12-16-10(13)15-11(17-12)14-9-5-7-19-8-6-9/h9H,3-8H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyTXRBRAJKGIENNJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.89
Rot. Bonds5

About 2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80788943) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80788943
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NC2CCOCC2)n1
InChIInChI=1S/C12H22N6O/c1-3-18(4-2)12-16-10(13)15-11(17-12)14-9-5-7-19-8-6-9/h9H,3-8H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyTXRBRAJKGIENNJ-UHFFFAOYSA-N
XLogP0.89
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 80788943) is 2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(NC2CCOCC2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is TXRBRAJKGIENNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-3-18(4-2)12-16-10(13)15-11(17-12)14-9-5-7-19-8-6-9/h9H,3-8H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 266.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80788943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).