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

C9H17N5O2 — CID 80771509

IUPAC2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol
SMILESCCNc1nc(OC)nc(N(C)CCO)n1
InChIInChI=1S/C9H17N5O2/c1-4-10-7-11-8(14(2)5-6-15)13-9(12-7)16-3/h15H,4-6H2,1-3H3,(H,10,11,12,13)
InChIKeyLUVZUQWMOQMJFS-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.26
Rot. Bonds6

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

2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol (PubChem CID 80771509) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol
PubChem CID80771509
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol
SMILESCCNc1nc(OC)nc(N(C)CCO)n1
InChIInChI=1S/C9H17N5O2/c1-4-10-7-11-8(14(2)5-6-15)13-9(12-7)16-3/h15H,4-6H2,1-3H3,(H,10,11,12,13)
InChIKeyLUVZUQWMOQMJFS-UHFFFAOYSA-N
XLogP-0.26
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol?
The IUPAC name of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol (CID 80771509) is 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol is CCNc1nc(OC)nc(N(C)CCO)n1.
What is the InChIKey of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol?
The InChIKey is LUVZUQWMOQMJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-4-10-7-11-8(14(2)5-6-15)13-9(12-7)16-3/h15H,4-6H2,1-3H3,(H,10,11,12,13).
What are the key properties of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol?
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol has a molecular weight of 227.27 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol is sourced from PubChem (CID 80771509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).