4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine

C10H14FN3S — CID 164657199

IUPAC4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine
SMILESCC1CN(c2nccnc2F)CC(C)S1
InChIInChI=1S/C10H14FN3S/c1-7-5-14(6-8(2)15-7)10-9(11)12-3-4-13-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyYBAUHQKUWJROKQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.95
Rot. Bonds1

About 4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine

4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine (PubChem CID 164657199) has the molecular formula C10H14FN3S and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine
PubChem CID164657199
Molecular FormulaC10H14FN3S
Molecular Weight227.31 g/mol
Exact Mass227.09
IUPAC Name4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine
SMILESCC1CN(c2nccnc2F)CC(C)S1
InChIInChI=1S/C10H14FN3S/c1-7-5-14(6-8(2)15-7)10-9(11)12-3-4-13-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyYBAUHQKUWJROKQ-UHFFFAOYSA-N
XLogP1.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine?
The IUPAC name of 4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine (CID 164657199) is 4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine.
What is the SMILES notation for 4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine?
The canonical SMILES for 4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine is CC1CN(c2nccnc2F)CC(C)S1.
What is the InChIKey of 4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine?
The InChIKey is YBAUHQKUWJROKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3S/c1-7-5-14(6-8(2)15-7)10-9(11)12-3-4-13-10/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine?
4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine has a molecular weight of 227.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropyrazin-2-yl)-2,6-dimethylthiomorpholine is sourced from PubChem (CID 164657199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).