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

C12H22N6O — CID 80789114

IUPAC2-N,4-N,4-N,6-N-tetramethyl-2-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N(C)C)nc(N(C)C2CCOCC2)n1
InChIInChI=1S/C12H22N6O/c1-13-10-14-11(17(2)3)16-12(15-10)18(4)9-5-7-19-8-6-9/h9H,5-8H2,1-4H3,(H,13,14,15,16)
InChIKeyLMBBWRFCBUFTFL-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.59
Rot. Bonds4

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

2-N,4-N,4-N,6-N-tetramethyl-2-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80789114) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-N,4-N,4-N,6-N-tetramethyl-2-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,4-N,6-N-tetramethyl-2-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80789114
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-N,4-N,4-N,6-N-tetramethyl-2-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N(C)C)nc(N(C)C2CCOCC2)n1
InChIInChI=1S/C12H22N6O/c1-13-10-14-11(17(2)3)16-12(15-10)18(4)9-5-7-19-8-6-9/h9H,5-8H2,1-4H3,(H,13,14,15,16)
InChIKeyLMBBWRFCBUFTFL-UHFFFAOYSA-N
XLogP0.59
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N,6-N-tetramethyl-2-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,4-N,6-N-tetramethyl-2-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 80789114) is 2-N,4-N,4-N,6-N-tetramethyl-2-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,4-N,6-N-tetramethyl-2-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,4-N,6-N-tetramethyl-2-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine is CNc1nc(N(C)C)nc(N(C)C2CCOCC2)n1.
What is the InChIKey of 2-N,4-N,4-N,6-N-tetramethyl-2-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LMBBWRFCBUFTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-13-10-14-11(17(2)3)16-12(15-10)18(4)9-5-7-19-8-6-9/h9H,5-8H2,1-4H3,(H,13,14,15,16).
What are the key properties of 2-N,4-N,4-N,6-N-tetramethyl-2-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,4-N,6-N-tetramethyl-2-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 266.35 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N,6-N-tetramethyl-2-N-(oxan-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80789114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).