3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol

C11H14N6O — CID 90254949

IUPAC3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol
SMILESCN(C)c1nc(N)nc(Nc2cccc(O)c2)n1
InChIInChI=1S/C11H14N6O/c1-17(2)11-15-9(12)14-10(16-11)13-7-4-3-5-8(18)6-7/h3-6,18H,1-2H3,(H3,12,13,14,15,16)
InChIKeyDQMCJJSRTKPZMA-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.97
Rot. Bonds3

About 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol

3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 90254949) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol
PubChem CID90254949
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol
SMILESCN(C)c1nc(N)nc(Nc2cccc(O)c2)n1
InChIInChI=1S/C11H14N6O/c1-17(2)11-15-9(12)14-10(16-11)13-7-4-3-5-8(18)6-7/h3-6,18H,1-2H3,(H3,12,13,14,15,16)
InChIKeyDQMCJJSRTKPZMA-UHFFFAOYSA-N
XLogP0.97
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol (CID 90254949) is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol is CN(C)c1nc(N)nc(Nc2cccc(O)c2)n1.
What is the InChIKey of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is DQMCJJSRTKPZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-17(2)11-15-9(12)14-10(16-11)13-7-4-3-5-8(18)6-7/h3-6,18H,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol?
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol has a molecular weight of 246.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 90254949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).