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

C8H16N6O2 — CID 60686671

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESNc1nc(N)nc(CN(CCO)CCO)n1
InChIInChI=1S/C8H16N6O2/c9-7-11-6(12-8(10)13-7)5-14(1-3-15)2-4-16/h15-16H,1-5H2,(H4,9,10,11,12,13)
InChIKeyJATJCMLDGHNLPW-UHFFFAOYSA-N
MW228.26 g/mol
LogP-2.18
Rot. Bonds6

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

2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 60686671) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID60686671
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESNc1nc(N)nc(CN(CCO)CCO)n1
InChIInChI=1S/C8H16N6O2/c9-7-11-6(12-8(10)13-7)5-14(1-3-15)2-4-16/h15-16H,1-5H2,(H4,9,10,11,12,13)
InChIKeyJATJCMLDGHNLPW-UHFFFAOYSA-N
XLogP-2.18
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol (CID 60686671) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol is Nc1nc(N)nc(CN(CCO)CCO)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is JATJCMLDGHNLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2/c9-7-11-6(12-8(10)13-7)5-14(1-3-15)2-4-16/h15-16H,1-5H2,(H4,9,10,11,12,13).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 228.26 g/mol, XLogP of -2.18, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 60686671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).