4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine

C9H14N4O2 — CID 65356886

IUPAC4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(C2COCCO2)n1
InChIInChI=1S/C9H14N4O2/c1-2-7-11-8(13-9(10)12-7)6-5-14-3-4-15-6/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyZZNOJOFXUNHSTA-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.10
Rot. Bonds2

About 4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine

4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine (PubChem CID 65356886) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine
PubChem CID65356886
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(C2COCCO2)n1
InChIInChI=1S/C9H14N4O2/c1-2-7-11-8(13-9(10)12-7)6-5-14-3-4-15-6/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyZZNOJOFXUNHSTA-UHFFFAOYSA-N
XLogP0.10
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine (CID 65356886) is 4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine is CCc1nc(N)nc(C2COCCO2)n1.
What is the InChIKey of 4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine?
The InChIKey is ZZNOJOFXUNHSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-7-11-8(13-9(10)12-7)6-5-14-3-4-15-6/h6H,2-5H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine?
4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine has a molecular weight of 210.24 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 65356886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).