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

C14H19N5O — CID 676259

IUPAC6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(OCc2nc(N)nc(N(C)C)n2)cc1C
InChIInChI=1S/C14H19N5O/c1-9-5-6-11(7-10(9)2)20-8-12-16-13(15)18-14(17-12)19(3)4/h5-7H,8H2,1-4H3,(H2,15,16,17,18)
InChIKeyOOOFOYGLLFEMNK-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.72
Rot. Bonds4

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

6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 676259) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID676259
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(OCc2nc(N)nc(N(C)C)n2)cc1C
InChIInChI=1S/C14H19N5O/c1-9-5-6-11(7-10(9)2)20-8-12-16-13(15)18-14(17-12)19(3)4/h5-7H,8H2,1-4H3,(H2,15,16,17,18)
InChIKeyOOOFOYGLLFEMNK-UHFFFAOYSA-N
XLogP1.72
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 676259) is 6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is Cc1ccc(OCc2nc(N)nc(N(C)C)n2)cc1C.
What is the InChIKey of 6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OOOFOYGLLFEMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-5-6-11(7-10(9)2)20-8-12-16-13(15)18-14(17-12)19(3)4/h5-7H,8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 676259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).