2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine

C11H19N5O2 — CID 80860494

IUPAC2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OCC2CCCO2)nc(N(C)C)n1
InChIInChI=1S/C11H19N5O2/c1-12-9-13-10(16(2)3)15-11(14-9)18-7-8-5-4-6-17-8/h8H,4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyWQCICPQBWAMBPO-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.54
Rot. Bonds5

About 2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 80860494) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID80860494
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OCC2CCCO2)nc(N(C)C)n1
InChIInChI=1S/C11H19N5O2/c1-12-9-13-10(16(2)3)15-11(14-9)18-7-8-5-4-6-17-8/h8H,4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyWQCICPQBWAMBPO-UHFFFAOYSA-N
XLogP0.54
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.54
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,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine (CID 80860494) is 2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine is CNc1nc(OCC2CCCO2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is WQCICPQBWAMBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-12-9-13-10(16(2)3)15-11(14-9)18-7-8-5-4-6-17-8/h8H,4-7H2,1-3H3,(H,12,13,14,15).
What are the key properties of 2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 253.31 g/mol, XLogP of 0.54, 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,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80860494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).