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

C8H11FN4O — CID 18729064

IUPAC4-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)morpholine
SMILESCc1nc(F)nc(N2CCOCC2)n1
InChIInChI=1S/C8H11FN4O/c1-6-10-7(9)12-8(11-6)13-2-4-14-5-3-13/h2-5H2,1H3
InChIKeySTOXKWVWXRADRL-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.16
Rot. Bonds1

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

4-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)morpholine (PubChem CID 18729064) has the molecular formula C8H11FN4O and a molecular weight of 198.20 g/mol. Its IUPAC name is 4-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)morpholine
PubChem CID18729064
Molecular FormulaC8H11FN4O
Molecular Weight198.20 g/mol
Exact Mass198.09
IUPAC Name4-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)morpholine
SMILESCc1nc(F)nc(N2CCOCC2)n1
InChIInChI=1S/C8H11FN4O/c1-6-10-7(9)12-8(11-6)13-2-4-14-5-3-13/h2-5H2,1H3
InChIKeySTOXKWVWXRADRL-UHFFFAOYSA-N
XLogP0.16
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of 4-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)morpholine (CID 18729064) is 4-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for 4-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)morpholine is Cc1nc(F)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)morpholine?
The InChIKey is STOXKWVWXRADRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O/c1-6-10-7(9)12-8(11-6)13-2-4-14-5-3-13/h2-5H2,1H3.
What are the key properties of 4-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)morpholine?
4-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)morpholine has a molecular weight of 198.20 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 18729064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).