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

C7H14N6O — CID 597559

IUPAC2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol
SMILESCN(C)c1nc(N)nc(C(N)CO)n1
InChIInChI=1S/C7H14N6O/c1-13(2)7-11-5(4(8)3-14)10-6(9)12-7/h4,14H,3,8H2,1-2H3,(H2,9,10,11,12)
InChIKeyUJQYMRLYCLTESY-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.49
Rot. Bonds3

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

2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol (PubChem CID 597559) has the molecular formula C7H14N6O and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol
PubChem CID597559
Molecular FormulaC7H14N6O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol
SMILESCN(C)c1nc(N)nc(C(N)CO)n1
InChIInChI=1S/C7H14N6O/c1-13(2)7-11-5(4(8)3-14)10-6(9)12-7/h4,14H,3,8H2,1-2H3,(H2,9,10,11,12)
InChIKeyUJQYMRLYCLTESY-UHFFFAOYSA-N
XLogP-1.49
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol?
The IUPAC name of 2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol (CID 597559) is 2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol.
What is the SMILES notation for 2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol?
The canonical SMILES for 2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol is CN(C)c1nc(N)nc(C(N)CO)n1.
What is the InChIKey of 2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol?
The InChIKey is UJQYMRLYCLTESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O/c1-13(2)7-11-5(4(8)3-14)10-6(9)12-7/h4,14H,3,8H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol?
2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol has a molecular weight of 198.23 g/mol, XLogP of -1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethanol is sourced from PubChem (CID 597559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).