2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol

C7H14N6O — CID 60683854

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1nc(N)nc(N)n1
InChIInChI=1S/C7H14N6O/c1-13(2-3-14)4-5-10-6(8)12-7(9)11-5/h14H,2-4H2,1H3,(H4,8,9,10,11,12)
InChIKeyIUIVRWCWFOZYHB-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.54
Rot. Bonds4

About 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol

2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol (PubChem CID 60683854) has the molecular formula C7H14N6O and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol
PubChem CID60683854
Molecular FormulaC7H14N6O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1nc(N)nc(N)n1
InChIInChI=1S/C7H14N6O/c1-13(2-3-14)4-5-10-6(8)12-7(9)11-5/h14H,2-4H2,1H3,(H4,8,9,10,11,12)
InChIKeyIUIVRWCWFOZYHB-UHFFFAOYSA-N
XLogP-1.54
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol (CID 60683854) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol is CN(CCO)Cc1nc(N)nc(N)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol?
The InChIKey is IUIVRWCWFOZYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O/c1-13(2-3-14)4-5-10-6(8)12-7(9)11-5/h14H,2-4H2,1H3,(H4,8,9,10,11,12).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol?
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol has a molecular weight of 198.23 g/mol, XLogP of -1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]ethanol is sourced from PubChem (CID 60683854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).