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

C11H20N6O — CID 80788858

IUPAC2-N,2-N,6-N-trimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NC2CCOCC2)nc(N(C)C)n1
InChIInChI=1S/C11H20N6O/c1-12-9-14-10(16-11(15-9)17(2)3)13-8-4-6-18-7-5-8/h8H,4-7H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyCHBYEYIVNOKVJE-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.57
Rot. Bonds4

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

2-N,2-N,6-N-trimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80788858) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-N,2-N,6-N-trimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,6-N-trimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80788858
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-N,2-N,6-N-trimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NC2CCOCC2)nc(N(C)C)n1
InChIInChI=1S/C11H20N6O/c1-12-9-14-10(16-11(15-9)17(2)3)13-8-4-6-18-7-5-8/h8H,4-7H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyCHBYEYIVNOKVJE-UHFFFAOYSA-N
XLogP0.57
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.57
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,6-N-trimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,6-N-trimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 80788858) is 2-N,2-N,6-N-trimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,6-N-trimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,6-N-trimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine is CNc1nc(NC2CCOCC2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,6-N-trimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is CHBYEYIVNOKVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-12-9-14-10(16-11(15-9)17(2)3)13-8-4-6-18-7-5-8/h8H,4-7H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 2-N,2-N,6-N-trimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,6-N-trimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 252.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N-trimethyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80788858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).