4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine

C8H13FN4O — CID 176521204

IUPAC4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine
SMILESCC1N=C(N2CCOCC2)N=C(F)N1
InChIInChI=1S/C8H13FN4O/c1-6-10-7(9)12-8(11-6)13-2-4-14-5-3-13/h6H,2-5H2,1H3,(H,10,11,12)
InChIKeyIJLHHTLJOZRYOB-UHFFFAOYSA-N
MW200.22 g/mol
LogP-0.05
Rot. Bonds

About 4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine

4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine (PubChem CID 176521204) has the molecular formula C8H13FN4O and a molecular weight of 200.22 g/mol. Its IUPAC name is 4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine.

Molecular Properties

Compound Name4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine
PubChem CID176521204
Molecular FormulaC8H13FN4O
Molecular Weight200.22 g/mol
Exact Mass200.11
IUPAC Name4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine
SMILESCC1N=C(N2CCOCC2)N=C(F)N1
InChIInChI=1S/C8H13FN4O/c1-6-10-7(9)12-8(11-6)13-2-4-14-5-3-13/h6H,2-5H2,1H3,(H,10,11,12)
InChIKeyIJLHHTLJOZRYOB-UHFFFAOYSA-N
XLogP-0.05
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine?
The IUPAC name of 4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine (CID 176521204) is 4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine.
What is the SMILES notation for 4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine?
The canonical SMILES for 4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine is CC1N=C(N2CCOCC2)N=C(F)N1.
What is the InChIKey of 4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine?
The InChIKey is IJLHHTLJOZRYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O/c1-6-10-7(9)12-8(11-6)13-2-4-14-5-3-13/h6H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine?
4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine has a molecular weight of 200.22 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-methyl-1,2-dihydro-1,3,5-triazin-4-yl)morpholine is sourced from PubChem (CID 176521204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).