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

C10H16N4O — CID 65334319

IUPAC4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(C2CCOCC2)n1
InChIInChI=1S/C10H16N4O/c1-2-8-12-9(14-10(11)13-8)7-3-5-15-6-4-7/h7H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyPENJPMFZJYKADZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.91
Rot. Bonds2

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

4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine (PubChem CID 65334319) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine
PubChem CID65334319
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(C2CCOCC2)n1
InChIInChI=1S/C10H16N4O/c1-2-8-12-9(14-10(11)13-8)7-3-5-15-6-4-7/h7H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyPENJPMFZJYKADZ-UHFFFAOYSA-N
XLogP0.91
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine (CID 65334319) is 4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine is CCc1nc(N)nc(C2CCOCC2)n1.
What is the InChIKey of 4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is PENJPMFZJYKADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-8-12-9(14-10(11)13-8)7-3-5-15-6-4-7/h7H,2-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine?
4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 208.26 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65334319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).