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

C12H22N6O3 — CID 607000

IUPAC2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESNc1nc(CN(CCO)CCO)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O3/c13-11-14-10(9-17(1-5-19)2-6-20)15-12(16-11)18-3-7-21-8-4-18/h19-20H,1-9H2,(H2,13,14,15,16)
InChIKeyKVQNNWGUZLPUIV-UHFFFAOYSA-N
MW298.35 g/mol
LogP-1.92
Rot. Bonds7

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

2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 607000) has the molecular formula C12H22N6O3 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID607000
Molecular FormulaC12H22N6O3
Molecular Weight298.35 g/mol
Exact Mass298.18
IUPAC Name2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESNc1nc(CN(CCO)CCO)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O3/c13-11-14-10(9-17(1-5-19)2-6-20)15-12(16-11)18-3-7-21-8-4-18/h19-20H,1-9H2,(H2,13,14,15,16)
InChIKeyKVQNNWGUZLPUIV-UHFFFAOYSA-N
XLogP-1.92
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol (CID 607000) is 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol is Nc1nc(CN(CCO)CCO)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is KVQNNWGUZLPUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O3/c13-11-14-10(9-17(1-5-19)2-6-20)15-12(16-11)18-3-7-21-8-4-18/h19-20H,1-9H2,(H2,13,14,15,16).
What are the key properties of 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 298.35 g/mol, XLogP of -1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 607000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).