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

C10H16N4O2 — CID 65356932

IUPAC4-(1,4-dioxan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(C2COCCO2)n1
InChIInChI=1S/C10H16N4O2/c1-6(2)8-12-9(14-10(11)13-8)7-5-15-3-4-16-7/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyDKTZVMFWBDBPDP-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.67
Rot. Bonds2

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

4-(1,4-dioxan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 65356932) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,4-dioxan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID65356932
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-(1,4-dioxan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(C2COCCO2)n1
InChIInChI=1S/C10H16N4O2/c1-6(2)8-12-9(14-10(11)13-8)7-5-15-3-4-16-7/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyDKTZVMFWBDBPDP-UHFFFAOYSA-N
XLogP0.67
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.67
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-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,4-dioxan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 65356932) is 4-(1,4-dioxan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,4-dioxan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,4-dioxan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N)nc(C2COCCO2)n1.
What is the InChIKey of 4-(1,4-dioxan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is DKTZVMFWBDBPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6(2)8-12-9(14-10(11)13-8)7-5-15-3-4-16-7/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-(1,4-dioxan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(1,4-dioxan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 224.26 g/mol, XLogP of 0.67, 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-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 65356932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).