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

C13H24N6O — CID 80788953

IUPAC2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(N(C)C2CCOCC2)n1
InChIInChI=1S/C13H24N6O/c1-4-19(5-2)13-16-11(14)15-12(17-13)18(3)10-6-8-20-9-7-10/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeySJXNLKLERCBFKU-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.92
Rot. Bonds5

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

2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80788953) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80788953
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(N(C)C2CCOCC2)n1
InChIInChI=1S/C13H24N6O/c1-4-19(5-2)13-16-11(14)15-12(17-13)18(3)10-6-8-20-9-7-10/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeySJXNLKLERCBFKU-UHFFFAOYSA-N
XLogP0.92
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 80788953) is 2-N,2-N-diethyl-4-N-methyl-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-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(N(C)C2CCOCC2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SJXNLKLERCBFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-4-19(5-2)13-16-11(14)15-12(17-13)18(3)10-6-8-20-9-7-10/h10H,4-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 280.38 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80788953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).