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

C8H12N4O2 — CID 65356839

IUPAC4-(1,4-dioxan-2-yl)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(C2COCCO2)n1
InChIInChI=1S/C8H12N4O2/c1-5-10-7(12-8(9)11-5)6-4-13-2-3-14-6/h6H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyARYXBVIOOTUOFB-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.15
Rot. Bonds1

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

4-(1,4-dioxan-2-yl)-6-methyl-1,3,5-triazin-2-amine (PubChem CID 65356839) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-yl)-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,4-dioxan-2-yl)-6-methyl-1,3,5-triazin-2-amine
PubChem CID65356839
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-(1,4-dioxan-2-yl)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(C2COCCO2)n1
InChIInChI=1S/C8H12N4O2/c1-5-10-7(12-8(9)11-5)6-4-13-2-3-14-6/h6H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyARYXBVIOOTUOFB-UHFFFAOYSA-N
XLogP-0.15
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1,4-dioxan-2-yl)-6-methyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxan-2-yl)-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,4-dioxan-2-yl)-6-methyl-1,3,5-triazin-2-amine (CID 65356839) is 4-(1,4-dioxan-2-yl)-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,4-dioxan-2-yl)-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,4-dioxan-2-yl)-6-methyl-1,3,5-triazin-2-amine is Cc1nc(N)nc(C2COCCO2)n1.
What is the InChIKey of 4-(1,4-dioxan-2-yl)-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is ARYXBVIOOTUOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-10-7(12-8(9)11-5)6-4-13-2-3-14-6/h6H,2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-(1,4-dioxan-2-yl)-6-methyl-1,3,5-triazin-2-amine?
4-(1,4-dioxan-2-yl)-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 196.21 g/mol, XLogP of -0.15, 1 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-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 65356839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).