4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C12H20N6O2 — CID 80764638

IUPAC4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC1CN(c2nc(N)nc(N3CCOCC3)n2)CCO1
InChIInChI=1S/C12H20N6O2/c1-9-8-18(4-7-20-9)12-15-10(13)14-11(16-12)17-2-5-19-6-3-17/h9H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyVPIGKNHDMFIFNR-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.48
Rot. Bonds2

About 4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80764638) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80764638
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC1CN(c2nc(N)nc(N3CCOCC3)n2)CCO1
InChIInChI=1S/C12H20N6O2/c1-9-8-18(4-7-20-9)12-15-10(13)14-11(16-12)17-2-5-19-6-3-17/h9H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyVPIGKNHDMFIFNR-UHFFFAOYSA-N
XLogP-0.48
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80764638) is 4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is CC1CN(c2nc(N)nc(N3CCOCC3)n2)CCO1.
What is the InChIKey of 4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is VPIGKNHDMFIFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-9-8-18(4-7-20-9)12-15-10(13)14-11(16-12)17-2-5-19-6-3-17/h9H,2-8H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 280.33 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80764638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).