2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine

C11H20N6O — CID 17451502

IUPAC2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCC1CN(Cc2nc(N)nc(N(C)C)n2)CCO1
InChIInChI=1S/C11H20N6O/c1-8-6-17(4-5-18-8)7-9-13-10(12)15-11(14-9)16(2)3/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyXWQDKPCUNCLTMS-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.26
Rot. Bonds3

About 2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 17451502) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID17451502
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCC1CN(Cc2nc(N)nc(N(C)C)n2)CCO1
InChIInChI=1S/C11H20N6O/c1-8-6-17(4-5-18-8)7-9-13-10(12)15-11(14-9)16(2)3/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyXWQDKPCUNCLTMS-UHFFFAOYSA-N
XLogP-0.26
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.26
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-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 17451502) is 2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine is CC1CN(Cc2nc(N)nc(N(C)C)n2)CCO1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XWQDKPCUNCLTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-8-6-17(4-5-18-8)7-9-13-10(12)15-11(14-9)16(2)3/h8H,4-7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 252.32 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17451502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).